CAS RN: 69232-01-5
CAS Name: (3E)-3-(2-chloro-3-fluoro-9-thioxanthenylidene)-N,N-dimethyl-1-propanamine hydrochloride
OPENEYE Name: (3E)-3-(2-chloro-3-fluoro-thioxanthen-9-ylidene)-N,N-dimethyl-propan-1-amine hydrochloride
IUPAC Name: (3E)-3-(2-chloro-3-fluorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine hydrochloride
SYSTEMATIC NAME: (3E)-3-(2-chloranyl-3-fluoranyl-thioxanthen-9-ylidene)-N,N-dimethyl-propan-1-amine hydrochloride
MOLECULAR FORMULA: C18H18Cl2FNS
MOLECULAR WEIGHT: 370.311623
SMILES: CN(C)CC/C=C/1\C2=CC=CC=C2SC3=CC(=C(C=C31)Cl)F.Cl
Structure:
CAS RN: 69231-73-8
CAS Name: (E)-2-butenedioic acid; 3-chloro-9-methoxy-5-(1-piperazinyl)-5,6-dihydrobenzo[b][1]benzothiepin 11-oxide
OPENEYE Name: 3-chloro-9-methoxy-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 3-chloro-9-methoxy-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 3-chloranyl-9-methoxy-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide
MOLECULAR FORMULA: C23H25ClN2O6S
MOLECULAR WEIGHT: 492.9724
SMILES: COC1=CC2=C(CC(C3=C(S2=O)C=CC(=C3)Cl)N4CCNCC4)C=C1.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 69231-72-7
CAS Name: (E)-2-butenedioic acid; 3-chloro-9-methoxy-5-(4-methyl-1-piperazinyl)-5,6-dihydrobenzo[b][1]benzothiepin 11-oxide
OPENEYE Name: 3-chloro-9-methoxy-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 3-chloro-9-methoxy-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 3-chloranyl-9-methoxy-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide
MOLECULAR FORMULA: C24H27ClN2O6S
MOLECULAR WEIGHT: 506.99898
SMILES: CN1CCN(CC1)C2CC3=C(C=C(C=C3)OC)S(=O)C4=C2C=C(C=C4)Cl.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 69231-67-0
CAS Name: (E)-2-butenedioic acid; 1-(3-chloro-9-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
OPENEYE Name: 1-(3-chloro-9-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-(3-chloro-9-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(3-chloranyl-9-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
MOLECULAR FORMULA: C23H25ClN2O5S
MOLECULAR WEIGHT: 476.973
SMILES: COC1=CC2=C(CC(C3=C(S2)C=CC(=C3)Cl)N4CCNCC4)C=C1.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 69231-65-8
CAS Name: (E)-2-butenedioic acid; N'-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)ethane-1,2-diamine
OPENEYE Name: N'-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)ethane-1,2-diamine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; N'-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)ethane-1,2-diamine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N'-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)ethane-1,2-diamine
MOLECULAR FORMULA: C24H25ClN2O8S
MOLECULAR WEIGHT: 536.9819
SMILES: C1C2=CC=CC=C2SC3=C(C1NCCN)C=C(C=C3)Cl.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 69195-59-1
CAS Name: (E)-2-butenedioic acid; 3-chloro-N-methyl-N-prop-2-ynyl-5,6-dihydrobenzo[b][1]benzothiepin-5-amine
OPENEYE Name: 3-chloro-N-methyl-N-prop-2-ynyl-5,6-dihydrobenzo[b][1]benzothiepin-5-amine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 3-chloro-N-methyl-N-prop-2-ynyl-5,6-dihydrobenzo[b][1]benzothiepin-5-amine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 3-chloranyl-N-methyl-N-prop-2-ynyl-5,6-dihydrobenzo[b][1]benzothiepin-5-amine
MOLECULAR FORMULA: C22H20ClNO4S
MOLECULAR WEIGHT: 429.9165
SMILES: CN(CC#C)C1CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 69194-32-7
CAS Name: (7E)-5-methyl-3-phenyl-7-(phenylmethylene)-2-propyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine; phosphoric acid
OPENEYE Name: (7E)-7-benzylidene-5-methyl-3-phenyl-2-propyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine; phosphoric acid
IUPAC Name: (7E)-7-benzylidene-5-methyl-3-phenyl-2-propyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine; phosphoric acid
SYSTEMATIC NAME: (7E)-5-methyl-3-phenyl-7-(phenylmethylidene)-2-propyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine; phosphoric acid
MOLECULAR FORMULA: C23H30N3O4P
MOLECULAR WEIGHT: 443.475761
SMILES: CCCN1C(C2CN(C/C(=C\C3=CC=CC=C3)/C2=N1)C)C4=CC=CC=C4.OP(=O)(O)O
Structure:
CAS RN: 69159-31-5
CAS Name: 3-(6H-benzo[c][1,5]benzoxazepin-11-yl)-3-methyl-1-cyclobutanamine; (E)-2-butenedioic acid
OPENEYE Name: 3-(6H-benzo[c][1,5]benzoxazepin-11-yl)-3-methyl-cyclobutanamine; fumaric acid
IUPAC Name: 3-(6H-benzo[c][1,5]benzoxazepin-11-yl)-3-methylcyclobutan-1-amine; (E)-but-2-enedioic acid
SYSTEMATIC NAME: 3-(6H-benzo[c][1,5]benzoxazepin-11-yl)-3-methyl-cyclobutan-1-amine; (E)-but-2-enedioic acid
MOLECULAR FORMULA: C40H44N4O6
MOLECULAR WEIGHT: 676.80056
SMILES: CC1(CC(C1)N)N2C3=CC=CC=C3COC4=CC=CC=C42.CC1(CC(C1)N)N2C3=CC=CC=C3COC4=CC=CC=C42.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 68797-89-7
CAS Name: 4-[(E)-3-[4-(4-amino-2-imino-1-methyl-5-pyrimidinyl)anilino]-3-oxoprop-1-enyl]-N-[4-(4-amino-2-imino-1-methyl-5-pyrimidinyl)phenyl]benzamide; 4-methylbenzenesulfonic acid
OPENEYE Name: 4-[(E)-3-[4-(4-amino-2-imino-1-methyl-pyrimidin-5-yl)anilino]-3-oxo-prop-1-enyl]-N-[4-(4-amino-2-imino-1-methyl-pyrimidin-5-yl)phenyl]benzamide; 4-methylbenzenesulfonic acid
IUPAC Name: 4-[(E)-3-[4-(4-amino-2-imino-1-methylpyrimidin-5-yl)anilino]-3-oxoprop-1-enyl]-N-[4-(4-amino-2-imino-1-methylpyrimidin-5-yl)phenyl]benzamide; 4-methylbenzenesulfonic acid
SYSTEMATIC NAME: N-[4-(4-azanyl-2-azanylidene-1-methyl-pyrimidin-5-yl)phenyl]-4-[(E)-3-[[4-(4-azanyl-2-azanylidene-1-methyl-pyrimidin-5-yl)phenyl]amino]-3-oxidanylidene-prop-1-enyl]benzamide; 4-methylbenzenesulfonic acid
MOLECULAR FORMULA: C46H46N10O8S2
MOLECULAR WEIGHT: 931.04964
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CN1C=C(C(=NC1=N)N)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=CN(C(=N)N=C5N)C
Structure:
CAS RN: 68772-19-0
CAS Name: (E)-N-[4-[(1-methyl-4-pyridin-1-iumyl)amino]phenyl]-3-[4-[(1-methyl-4-quinolin-1-iumyl)amino]phenyl]-2-propenamide dibromide
OPENEYE Name: (E)-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-3-[4-[(1-methylquinolin-1-ium-4-yl)amino]phenyl]prop-2-enamide dibromide
IUPAC Name: (E)-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-3-[4-[(1-methylquinolin-1-ium-4-yl)amino]phenyl]prop-2-enamide dibromide
SYSTEMATIC NAME: (E)-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-3-[4-[(1-methylquinolin-1-ium-4-yl)amino]phenyl]prop-2-enamide dibromide
MOLECULAR FORMULA: C31H29Br2N5O
MOLECULAR WEIGHT: 647.40286
SMILES: C[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)NC4=CC=[N+](C5=CC=CC=C45)C.[Br-].[Br-]
Structure:
CAS RN: 68772-18-9
CAS Name: 1-methyl-N-[4-[(E)-2-[4-[(1-methyl-4-pyridin-1-iumyl)amino]phenyl]ethenyl]phenyl]-4-quinolin-1-iumamine dibromide
OPENEYE Name: 1-methyl-N-[4-[(E)-2-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]vinyl]phenyl]quinolin-1-ium-4-amine dibromide
IUPAC Name: 1-methyl-N-[4-[(E)-2-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]ethenyl]phenyl]quinolin-1-ium-4-amine dibromide
SYSTEMATIC NAME: 1-methyl-N-[4-[(E)-2-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]ethenyl]phenyl]quinolin-1-ium-4-amine dibromide
MOLECULAR FORMULA: C30H28Br2N4
MOLECULAR WEIGHT: 604.37812
SMILES: C[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)/C=C/C3=CC=C(C=C3)NC4=CC=[N+](C5=CC=CC=C45)C.[Br-].[Br-]
Structure:
CAS RN: 68772-00-9
CAS Name: 4-[(E)-3-[4-(4-amino-1-ethyl-2-imino-5-pyrimidinyl)anilino]-3-oxoprop-1-enyl]-N-[4-(4-amino-1-ethyl-2-imino-5-pyrimidinyl)phenyl]benzamide; 4-methylbenzenesulfonic acid
OPENEYE Name: 4-[(E)-3-[4-(4-amino-1-ethyl-2-imino-pyrimidin-5-yl)anilino]-3-oxo-prop-1-enyl]-N-[4-(4-amino-1-ethyl-2-imino-pyrimidin-5-yl)phenyl]benzamide; 4-methylbenzenesulfonic acid
IUPAC Name: 4-[(E)-3-[4-(4-amino-1-ethyl-2-iminopyrimidin-5-yl)anilino]-3-oxoprop-1-enyl]-N-[4-(4-amino-1-ethyl-2-iminopyrimidin-5-yl)phenyl]benzamide; 4-methylbenzenesulfonic acid
SYSTEMATIC NAME: N-[4-(4-azanyl-2-azanylidene-1-ethyl-pyrimidin-5-yl)phenyl]-4-[(E)-3-[[4-(4-azanyl-2-azanylidene-1-ethyl-pyrimidin-5-yl)phenyl]amino]-3-oxidanylidene-prop-1-enyl]benzamide; 4-methylbenzenesulfonic acid
MOLECULAR FORMULA: C48H50N10O8S2
MOLECULAR WEIGHT: 959.1028
SMILES: CCN1C=C(C(=NC1=N)N)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=CN(C(=N)N=C5N)CC.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O
Structure:
CAS RN: 68746-95-2
CAS Name: 7-hydroxy-8-methyl-4-[(E)-2-(5-nitro-2-furanyl)ethenyl]-1-benzopyran-2-one
OPENEYE Name: 7-hydroxy-8-methyl-4-[(E)-2-(5-nitro-2-furyl)vinyl]chromen-2-one
IUPAC Name: 7-hydroxy-8-methyl-4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]chromen-2-one
SYSTEMATIC NAME: 8-methyl-4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-7-oxidanyl-chromen-2-one
MOLECULAR FORMULA: C16H11NO6
MOLECULAR WEIGHT: 313.26164
SMILES: CC1=C(C=CC2=C1OC(=O)C=C2/C=C/C3=CC=C(O3)[N+](=O)[O-])O
Structure:
CAS RN: 68746-94-1
CAS Name: 6-chloro-7-methyl-4-[(E)-2-(5-nitro-2-furanyl)ethenyl]-1-benzopyran-2-one
OPENEYE Name: 6-chloro-7-methyl-4-[(E)-2-(5-nitro-2-furyl)vinyl]chromen-2-one
IUPAC Name: 6-chloro-7-methyl-4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]chromen-2-one
SYSTEMATIC NAME: 6-chloranyl-7-methyl-4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]chromen-2-one
MOLECULAR FORMULA: C16H10ClNO5
MOLECULAR WEIGHT: 331.7073
SMILES: CC1=C(C=C2C(=CC(=O)OC2=C1)/C=C/C3=CC=C(O3)[N+](=O)[O-])Cl
Structure:
CAS RN: 68746-93-0
CAS Name: 6,7-dimethyl-4-[(E)-2-(5-nitro-2-furanyl)ethenyl]-1-benzopyran-2-one
OPENEYE Name: 6,7-dimethyl-4-[(E)-2-(5-nitro-2-furyl)vinyl]chromen-2-one
IUPAC Name: 6,7-dimethyl-4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]chromen-2-one
SYSTEMATIC NAME: 6,7-dimethyl-4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]chromen-2-one
MOLECULAR FORMULA: C17H13NO5
MOLECULAR WEIGHT: 311.28882
SMILES: CC1=C(C=C2C(=C1)C(=CC(=O)O2)/C=C/C3=CC=C(O3)[N+](=O)[O-])C
Structure:
CAS RN: 68746-91-8
CAS Name: 7-butoxy-4-[(E)-2-(5-nitro-2-furanyl)ethenyl]-1-benzopyran-2-one
OPENEYE Name: 7-butoxy-4-[(E)-2-(5-nitro-2-furyl)vinyl]chromen-2-one
IUPAC Name: 7-butoxy-4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]chromen-2-one
SYSTEMATIC NAME: 7-butoxy-4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]chromen-2-one
MOLECULAR FORMULA: C19H17NO6
MOLECULAR WEIGHT: 355.34138
SMILES: CCCCOC1=CC2=C(C=C1)C(=CC(=O)O2)/C=C/C3=CC=C(O3)[N+](=O)[O-]
Structure:
CAS RN: 68746-90-7
CAS Name: 4-[(E)-2-(5-nitro-2-furanyl)ethenyl]-7-propan-2-yloxy-1-benzopyran-2-one
OPENEYE Name: 7-isopropoxy-4-[(E)-2-(5-nitro-2-furyl)vinyl]chromen-2-one
IUPAC Name: 4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-7-propan-2-yloxychromen-2-one
SYSTEMATIC NAME: 4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-7-propan-2-yloxy-chromen-2-one
MOLECULAR FORMULA: C18H15NO6
MOLECULAR WEIGHT: 341.3148
SMILES: CC(C)OC1=CC2=C(C=C1)C(=CC(=O)O2)/C=C/C3=CC=C(O3)[N+](=O)[O-]
Structure:
CAS RN: 68746-89-4
CAS Name: 4-[(E)-2-(5-nitro-2-furanyl)ethenyl]-7-propoxy-1-benzopyran-2-one
OPENEYE Name: 4-[(E)-2-(5-nitro-2-furyl)vinyl]-7-propoxy-chromen-2-one
IUPAC Name: 4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-7-propoxychromen-2-one
SYSTEMATIC NAME: 4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-7-propoxy-chromen-2-one
MOLECULAR FORMULA: C18H15NO6
MOLECULAR WEIGHT: 341.3148
SMILES: CCCOC1=CC2=C(C=C1)C(=CC(=O)O2)/C=C/C3=CC=C(O3)[N+](=O)[O-]
Structure:
CAS RN: 68746-88-3
CAS Name: 7-ethoxy-4-[(E)-2-(5-nitro-2-furanyl)ethenyl]-1-benzopyran-2-one
OPENEYE Name: 7-ethoxy-4-[(E)-2-(5-nitro-2-furyl)vinyl]chromen-2-one
IUPAC Name: 7-ethoxy-4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]chromen-2-one
SYSTEMATIC NAME: 7-ethoxy-4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]chromen-2-one
MOLECULAR FORMULA: C17H13NO6
MOLECULAR WEIGHT: 327.28822
SMILES: CCOC1=CC2=C(C=C1)C(=CC(=O)O2)/C=C/C3=CC=C(O3)[N+](=O)[O-]
Structure:
CAS RN: 68746-87-2
CAS Name: 7-methoxy-4-[(E)-2-(5-nitro-2-furanyl)ethenyl]-1-benzopyran-2-one
OPENEYE Name: 7-methoxy-4-[(E)-2-(5-nitro-2-furyl)vinyl]chromen-2-one
IUPAC Name: 7-methoxy-4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]chromen-2-one
SYSTEMATIC NAME: 7-methoxy-4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]chromen-2-one
MOLECULAR FORMULA: C16H11NO6
MOLECULAR WEIGHT: 313.26164
SMILES: COC1=CC2=C(C=C1)C(=CC(=O)O2)/C=C/C3=CC=C(O3)[N+](=O)[O-]
Structure:
CAS RN: 68746-86-1
CAS Name: 7-hydroxy-4-[(E)-2-(5-nitro-2-furanyl)ethenyl]-1-benzopyran-2-one
OPENEYE Name: 7-hydroxy-4-[(E)-2-(5-nitro-2-furyl)vinyl]chromen-2-one
IUPAC Name: 7-hydroxy-4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]chromen-2-one
SYSTEMATIC NAME: 4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-7-oxidanyl-chromen-2-one
MOLECULAR FORMULA: C15H9NO6
MOLECULAR WEIGHT: 299.23506
SMILES: C1=CC2=C(C=C1O)OC(=O)C=C2/C=C/C3=CC=C(O3)[N+](=O)[O-]
Structure:
CAS RN: 68746-85-0
CAS Name: 7-chloro-4-[(E)-2-(5-nitro-2-furanyl)ethenyl]-1-benzopyran-2-one
OPENEYE Name: 7-chloro-4-[(E)-2-(5-nitro-2-furyl)vinyl]chromen-2-one
IUPAC Name: 7-chloro-4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]chromen-2-one
SYSTEMATIC NAME: 7-chloranyl-4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]chromen-2-one
MOLECULAR FORMULA: C15H8ClNO5
MOLECULAR WEIGHT: 317.68072
SMILES: C1=CC2=C(C=C1Cl)OC(=O)C=C2/C=C/C3=CC=C(O3)[N+](=O)[O-]
Structure:
CAS RN: 68746-83-8
CAS Name: 7-methyl-4-[(E)-2-(5-nitro-2-furanyl)ethenyl]-1-benzopyran-2-one
OPENEYE Name: 7-methyl-4-[(E)-2-(5-nitro-2-furyl)vinyl]chromen-2-one
IUPAC Name: 7-methyl-4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]chromen-2-one
SYSTEMATIC NAME: 7-methyl-4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]chromen-2-one
MOLECULAR FORMULA: C16H11NO5
MOLECULAR WEIGHT: 297.26224
SMILES: CC1=CC2=C(C=C1)C(=CC(=O)O2)/C=C/C3=CC=C(O3)[N+](=O)[O-]
Structure:
CAS RN: 68716-31-4
CAS Name: (E)-2-butenedioic acid; N-methyl-5,5-diphenyl-2-bicyclo[4.1.0]heptanamine
OPENEYE Name: fumaric acid; N-methyl-5,5-diphenyl-norcaran-2-amine
IUPAC Name: (E)-but-2-enedioic acid; N-methyl-5,5-diphenylbicyclo[4.1.0]heptan-2-amine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N-methyl-5,5-diphenyl-bicyclo[4.1.0]heptan-2-amine
MOLECULAR FORMULA: C24H27NO4
MOLECULAR WEIGHT: 393.47548
SMILES: CNC1CCC(C2C1C2)(C3=CC=CC=C3)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 68711-26-2
CAS Name: (2E)-2-[(2Z)-2-(3-ethyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)ethylidene]-4-methyl-3H-thiazole-5-carboxylic acid ethyl ester
OPENEYE Name: ethyl (2E)-2-[(2Z)-2-(3-ethyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)ethylidene]-4-methyl-3H-thiazole-5-carboxylate
IUPAC Name: ethyl (2E)-2-[(2Z)-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)ethylidene]-4-methyl-3H-1,3-thiazole-5-carboxylate
SYSTEMATIC NAME: ethyl (2E)-2-[(2Z)-2-(3-ethyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)ethylidene]-4-methyl-3H-1,3-thiazole-5-carboxylate
MOLECULAR FORMULA: C14H16N2O3S3
MOLECULAR WEIGHT: 356.48344
SMILES: CCN1C(=O)/C(=C/C=C/2\NC(=C(S2)C(=O)OCC)C)/SC1=S
Structure:
CAS RN: 68711-03-5
CAS Name: N-[(5E)-5-[[5-(4-bromophenyl)-2-furanyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-4-pyridinecarboxamide
OPENEYE Name: N-[(5E)-5-[[5-(4-bromophenyl)-2-furyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]pyridine-4-carboxamide
IUPAC Name: N-[(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
SYSTEMATIC NAME: N-[(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
MOLECULAR FORMULA: C20H12BrN3O3S2
MOLECULAR WEIGHT: 486.36158
SMILES: C1=CC(=CC=C1C2=CC=C(O2)/C=C/3\C(=O)N(C(=S)S3)NC(=O)C4=CC=NC=C4)Br
Structure:
CAS RN: 68711-02-4
CAS Name: N-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-4-pyridinecarboxamide
OPENEYE Name: N-[(5E)-5-[(4-nitrophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]pyridine-4-carboxamide
IUPAC Name: N-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
SYSTEMATIC NAME: N-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
MOLECULAR FORMULA: C16H10N4O4S2
MOLECULAR WEIGHT: 386.405
SMILES: C1=CC(=CC=C1/C=C/2\C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3)[N+](=O)[O-]
Structure:
CAS RN: 68711-01-3
CAS Name: N-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-4-pyridinecarboxamide
OPENEYE Name: N-[(5E)-5-[(3-nitrophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]pyridine-4-carboxamide
IUPAC Name: N-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
SYSTEMATIC NAME: N-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
MOLECULAR FORMULA: C16H10N4O4S2
MOLECULAR WEIGHT: 386.405
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/2\C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3
Structure:
CAS RN: 68710-96-3
CAS Name: N-[(5E)-5-[(4-acetamidophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-4-pyridinecarboxamide
OPENEYE Name: N-[(5E)-5-[(4-acetamidophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]pyridine-4-carboxamide
IUPAC Name: N-[(5E)-5-[(4-acetamidophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
SYSTEMATIC NAME: N-[(5E)-5-[(4-acetamidophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
MOLECULAR FORMULA: C18H14N4O3S2
MOLECULAR WEIGHT: 398.45876
SMILES: CC(=O)NC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3
Structure:
CAS RN: 68654-58-0
CAS Name: (E)-3-phenyl-N-[2-(1-pyrrolidinyl)ethyl]-2-propenamide hydrochloride
OPENEYE Name: (E)-3-phenyl-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide hydrochloride
IUPAC Name: (E)-3-phenyl-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide hydrochloride
SYSTEMATIC NAME: (E)-3-phenyl-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide hydrochloride
MOLECULAR FORMULA: C15H21ClN2O
MOLECULAR WEIGHT: 280.79304
SMILES: C1CCN(C1)CCNC(=O)/C=C/C2=CC=CC=C2.Cl
Structure:
CAS RN: 68640-60-8
CAS Name: 3-[(7E,10E)-pentadeca-7,10-dienyl]benzene-1,2-diol
OPENEYE Name: 3-[(7E,10E)-pentadeca-7,10-dienyl]benzene-1,2-diol
IUPAC Name: 3-[(7E,10E)-pentadeca-7,10-dienyl]benzene-1,2-diol
SYSTEMATIC NAME: 3-[(7E,10E)-pentadeca-7,10-dienyl]benzene-1,2-diol
MOLECULAR FORMULA: C21H32O2
MOLECULAR WEIGHT: 316.47758
SMILES: CCCC/C=C/C/C=C/CCCCCCC1=C(C(=CC=C1)O)O
Structure:
CAS RN: 68397-88-6
CAS Name: (E)-2-butenedioic acid; N,N-dimethyl-4-[(2-phenylethylamino)methyl]aniline
OPENEYE Name: N,N-dimethyl-4-[(2-phenylethylamino)methyl]aniline; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; N,N-dimethyl-4-[(2-phenylethylamino)methyl]aniline
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N,N-dimethyl-4-[(2-phenylethylamino)methyl]aniline
MOLECULAR FORMULA: C21H26N2O4
MOLECULAR WEIGHT: 370.44214
SMILES: CN(C)C1=CC=C(C=C1)CNCCC2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 68379-26-0
CAS Name: acetic acid 2-[4-[4,4-bis(4-fluorophenyl)butyl]-1-piperazinyl]ethyl ester; (E)-2-butenedioic acid
OPENEYE Name: 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]ethyl acetate; fumaric acid
IUPAC Name: 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]ethyl acetate; (E)-but-2-enedioic acid
SYSTEMATIC NAME: 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]ethyl ethanoate; (E)-but-2-enedioic acid
MOLECULAR FORMULA: C32H38F2N2O10
MOLECULAR WEIGHT: 648.648326
SMILES: CC(=O)OCCN1CCN(CC1)CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 68351-32-6
CAS Name: (E)-2-butenedioic acid; 2-[4-[7-fluoro-4-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-piperazinyl]ethanol
OPENEYE Name: 2-[4-[7-fluoro-4-(4-fluorophenyl)tetralin-1-yl]piperazin-1-yl]ethanol; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 2-[4-[7-fluoro-4-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazin-1-yl]ethanol
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-[4-[7-fluoranyl-4-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazin-1-yl]ethanol
MOLECULAR FORMULA: C30H34F2N2O9
MOLECULAR WEIGHT: 604.595766
SMILES: C1C(C2=C(C(C1)N3CCN(CC3)CCO)C=C(C=C2)F)C4=CC=C(C=C4)F.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 68351-30-4
CAS Name: (E)-2-butenedioic acid; 1-[7-fluoro-4-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methylpiperazine
OPENEYE Name: 1-[7-fluoro-4-(4-fluorophenyl)tetralin-1-yl]-4-methyl-piperazine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-[7-fluoro-4-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methylpiperazine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-[7-fluoranyl-4-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methyl-piperazine
MOLECULAR FORMULA: C25H28F2N2O4
MOLECULAR WEIGHT: 458.497626
SMILES: CN1CCN(CC1)C2CCC(C3=C2C=C(C=C3)F)C4=CC=C(C=C4)F.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 68351-06-4
CAS Name: (E)-2-butenedioic acid; 1-(3-chloro-1-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
OPENEYE Name: 1-(3-chloro-1-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-(3-chloro-1-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(3-chloranyl-1-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine
MOLECULAR FORMULA: C24H27ClN2O5S
MOLECULAR WEIGHT: 490.99958
SMILES: CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C(C=C(C=C24)Cl)OC.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 68342-81-4
CAS Name: (E)-2-butenedioic acid; 4-[2-[2-(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)ethoxy]ethyl]morpholine
OPENEYE Name: 4-[2-[2-(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)ethoxy]ethyl]morpholine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 4-[2-[2-(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)ethoxy]ethyl]morpholine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 4-[2-[2-(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)ethoxy]ethyl]morpholine
MOLECULAR FORMULA: C21H33NO6
MOLECULAR WEIGHT: 395.48982
SMILES: CC1(C2CC=C(C1C2)CCOCCN3CCOCC3)C.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 68176-70-5
CAS Name: (E)-4-(1,3-benzodioxol-5-yl)-1-(4-morpholinyl)-3-buten-2-ol hydrochloride
OPENEYE Name: (E)-4-(1,3-benzodioxol-5-yl)-1-morpholino-but-3-en-2-ol hydrochloride
IUPAC Name: (E)-4-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylbut-3-en-2-ol hydrochloride
SYSTEMATIC NAME: (E)-4-(1,3-benzodioxol-5-yl)-1-morpholin-4-yl-but-3-en-2-ol hydrochloride
MOLECULAR FORMULA: C15H20ClNO4
MOLECULAR WEIGHT: 313.7766
SMILES: C1COCCN1CC(/C=C/C2=CC3=C(C=C2)OCO3)O.Cl
Structure:
CAS RN: 67931-93-5
CAS Name: (E)-2-butenedioic acid; 2-[[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-1-cyclohexanol
OPENEYE Name: fumaric acid; 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]cyclohexanol
IUPAC Name: (E)-but-2-enedioic acid; 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]cyclohexan-1-ol
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]cyclohexan-1-ol
MOLECULAR FORMULA: C22H29F3N2O5
MOLECULAR WEIGHT: 458.47127
SMILES: C1CCC(C(C1)CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 67931-89-9
CAS Name: (E)-2-butenedioic acid; 1-[3-(trifluoromethyl)phenyl]-4-[2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethoxymethyl]piperazine
OPENEYE Name: fumaric acid; 1-[3-(trifluoromethyl)phenyl]-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxymethyl]piperazine
IUPAC Name: (E)-but-2-enedioic acid; 1-[3-(trifluoromethyl)phenyl]-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxymethyl]piperazine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-[3-(trifluoromethyl)phenyl]-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxymethyl]piperazine
MOLECULAR FORMULA: C33H38F6N4O9
MOLECULAR WEIGHT: 748.666639
SMILES: C1N(CCN(C1)C2=CC=CC(=C2)C(F)(F)F)CCOCN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
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