CAS RN: 6986-45-4
CAS Name: N-[[[(2-chlorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-thiophen-2-yl-2-propenamide
OPENEYE Name: N-[[(2-chlorobenzoyl)amino]carbamothioyl]-3-(2-thienyl)prop-2-enamide
IUPAC Name: N-[[(2-chlorobenzoyl)amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
SYSTEMATIC NAME: N-[[(2-chlorophenyl)carbonylamino]carbamothioyl]-3-thiophen-2-yl-prop-2-enamide
MOLECULAR FORMULA: C15H12ClN3O2S2
MOLECULAR WEIGHT: 365.85768
SMILES: C1=CC=C(C(=C1)C(=O)NNC(=S)NC(=O)C=CC2=CC=CS2)Cl
Structure:
CAS RN: 6926-41-6
CAS Name: N-[1-(1-adamantyl)ethyl]-2-[[3-cyano-4-(3-pyridinyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]acetamide
OPENEYE Name: N-[1-(1-adamantyl)ethyl]-2-[[3-cyano-4-(3-pyridyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetamide
IUPAC Name: N-[1-(1-adamantyl)ethyl]-2-[(3-cyano-4-pyridin-3-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide
SYSTEMATIC NAME: N-[1-(1-adamantyl)ethyl]-2-[(3-cyano-4-pyridin-3-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]ethanamide
MOLECULAR FORMULA: C29H34N4OS
MOLECULAR WEIGHT: 486.67146
SMILES: CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=NC5=C(CCCC5)C(=C4C#N)C6=CN=CC=C6
Structure:
CAS RN: 6957-66-0
CAS Name: 2-amino-4-(2,5-dimethylphenyl)-5-ethyl-6-phenyl-3-pyridinecarbonitrile
OPENEYE Name: 2-amino-4-(2,5-dimethylphenyl)-5-ethyl-6-phenyl-pyridine-3-carbonitrile
IUPAC Name: 2-amino-4-(2,5-dimethylphenyl)-5-ethyl-6-phenylpyridine-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-4-(2,5-dimethylphenyl)-5-ethyl-6-phenyl-pyridine-3-carbonitrile
MOLECULAR FORMULA: C22H21N3
MOLECULAR WEIGHT: 327.42224
SMILES: CCC1=C(N=C(C(=C1C2=C(C=CC(=C2)C)C)C#N)N)C3=CC=CC=C3
Structure:
CAS RN: 7006-37-3
CAS Name: N-[[5-(2-furanylmethylidene)-4-oxo-3-prop-2-enyl-2-thiazolidinylidene]amino]-2-phenylacetamide
OPENEYE Name: N-[[3-allyl-5-(2-furylmethylene)-4-oxo-thiazolidin-2-ylidene]amino]-2-phenyl-acetamide
IUPAC Name: N-[[5-(furan-2-ylmethylidene)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]-2-phenylacetamide
SYSTEMATIC NAME: N-[[5-(furan-2-ylmethylidene)-4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]-2-phenyl-ethanamide
MOLECULAR FORMULA: C19H17N3O3S
MOLECULAR WEIGHT: 367.42158
SMILES: C=CCN1C(=O)C(=CC2=CC=CO2)SC1=NNC(=O)CC3=CC=CC=C3
Structure:
CAS RN: 7017-54-1
CAS Name: 5-(4-butoxyphenyl)-4-[hydroxy-(3-propoxyphenyl)methylidene]-1-(phenylmethyl)pyrrolidine-2,3-dione
OPENEYE Name: 1-benzyl-5-(4-butoxyphenyl)-4-[hydroxy-(3-propoxyphenyl)methylene]pyrrolidine-2,3-dione
IUPAC Name: 1-benzyl-5-(4-butoxyphenyl)-4-[hydroxy-(3-propoxyphenyl)methylidene]pyrrolidine-2,3-dione
SYSTEMATIC NAME: 5-(4-butoxyphenyl)-4-[oxidanyl-(3-propoxyphenyl)methylidene]-1-(phenylmethyl)pyrrolidine-2,3-dione
MOLECULAR FORMULA: C31H33NO5
MOLECULAR WEIGHT: 499.59742
SMILES: CCCCOC1=CC=C(C=C1)C2C(=C(C3=CC(=CC=C3)OCCC)O)C(=O)C(=O)N2CC4=CC=CC=C4
Structure:
CAS RN: 6937-64-0
CAS Name: N-[2,3-dichloro-1-di(propan-2-yloxy)phosphoryl-4-oxo-1-naphthalenyl]benzenesulfonamide
OPENEYE Name: N-(2,3-dichloro-1-diisopropoxyphosphoryl-4-oxo-1-naphthyl)benzenesulfonamide
IUPAC Name: N-[2,3-dichloro-1-di(propan-2-yloxy)phosphoryl-4-oxonaphthalen-1-yl]benzenesulfonamide
SYSTEMATIC NAME: N-[2,3-bis(chloranyl)-1-di(propan-2-yloxy)phosphoryl-4-oxidanylidene-naphthalen-1-yl]benzenesulfonamide
MOLECULAR FORMULA: C22H24Cl2NO6PS
MOLECULAR WEIGHT: 532.373821
SMILES: CC(C)OP(=O)(C1(C2=CC=CC=C2C(=O)C(=C1Cl)Cl)NS(=O)(=O)C3=CC=CC=C3)OC(C)C
Structure:
CAS RN: 7037-56-1
CAS Name: 4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-[5-(1-naphthalenylmethylthio)-1,3,4-thiadiazol-2-yl]-5-(3-pentoxyphenyl)pyrrolidine-2,3-dione
OPENEYE Name: 4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylene]-1-[5-(1-naphthylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(3-pentoxyphenyl)pyrrolidine-2,3-dione
IUPAC Name: 4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(3-pentoxyphenyl)pyrrolidine-2,3-dione
SYSTEMATIC NAME: 4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxidanyl)methylidene]-1-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(3-pentoxyphenyl)pyrrolidine-2,3-dione
MOLECULAR FORMULA: C37H33N3O6S2
MOLECULAR WEIGHT: 679.80442
SMILES: CCCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=CC7=CC=CC=C76
Structure:
CAS RN: 6997-58-6
CAS Name: 2-[(4-acetyloxy-3-methoxyphenyl)methylidene]-7-methyl-5-[4-(methylthio)phenyl]-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid methyl ester
OPENEYE Name: methyl 2-[(4-acetoxy-3-methoxy-phenyl)methylene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
IUPAC Name: methyl 2-[(4-acetyloxy-3-methoxyphenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SYSTEMATIC NAME: methyl 2-[(4-acetyloxy-3-methoxy-phenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C26H24N2O6S2
MOLECULAR WEIGHT: 524.60856
SMILES: CC1=C(C(N2C(=O)C(=CC3=CC(=C(C=C3)OC(=O)C)OC)SC2=N1)C4=CC=C(C=C4)SC)C(=O)OC
Structure:
CAS RN: 6977-64-6
CAS Name: N-[(4-bromoanilino)-sulfanylidenemethyl]-2-(2,5-dimethylphenoxy)acetamide
OPENEYE Name: N-[(4-bromophenyl)carbamothioyl]-2-(2,5-dimethylphenoxy)acetamide
IUPAC Name: N-[(4-bromophenyl)carbamothioyl]-2-(2,5-dimethylphenoxy)acetamide
SYSTEMATIC NAME: N-[(4-bromophenyl)carbamothioyl]-2-(2,5-dimethylphenoxy)ethanamide
MOLECULAR FORMULA: C17H17BrN2O2S
MOLECULAR WEIGHT: 393.29808
SMILES: CC1=CC(=C(C=C1)C)OCC(=O)NC(=S)NC2=CC=C(C=C2)Br
Structure:
CAS RN: 5268-86-0
CAS Name: 5-[[4-(difluoromethylthio)phenyl]methyl]-2-(2-pentylidenehydrazinyl)-4-thiazolone
OPENEYE Name: 5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-(2-pentylidenehydrazino)thiazol-4-one
IUPAC Name: 5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-(2-pentylidenehydrazinyl)-1,3-thiazol-4-one
SYSTEMATIC NAME: 5-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]methyl]-2-(2-pentylidenehydrazinyl)-1,3-thiazol-4-one
MOLECULAR FORMULA: C16H19F2N3OS2
MOLECULAR WEIGHT: 371.468366
SMILES: CCCCC=NNC1=NC(=O)C(S1)CC2=CC=C(C=C2)SC(F)F
Structure:
CAS RN: 5263-95-6
CAS Name: [amino(sulfoniumylidene)methyl]-[1-[6-[1-[amino(sulfoniumylidene)methyl]azanidyliminoethyl]-2-pyridinyl]ethylideneamino]azanide; chlorocopper(1+)
OPENEYE Name: [amino(sulfoniumylidene)methyl]-[1-[6-[N-[amino(sulfoniumylidene)methyl]azanidyl-C-methyl-carbonimidoyl]-2-pyridyl]ethylideneamino]azanide; chlorocopper(1+)
IUPAC Name: [amino(sulfoniumylidene)methyl]-[1-[6-[N-[amino(sulfoniumylidene)methyl]azanidyl-C-methylcarbonimidoyl]pyridin-2-yl]ethylideneamino]azanide; chlorocopper(1+)
SYSTEMATIC NAME: [azanyl(sulfaniumylidene)methyl]-[1-[6-[N-[azanyl(sulfaniumylidene)methyl]azanidyl-C-methyl-carbonimidoyl]pyridin-2-yl]ethylideneamino]azanide; chloranylcopper(1+)
MOLECULAR FORMULA: C11H15ClCuN7S2+
MOLECULAR WEIGHT: 408.4127
SMILES: CC(=N[N-]C(=[SH+])N)C1=NC(=CC=C1)C(=N[N-]C(=[SH+])N)C.Cl[Cu+]
Structure:
CAS RN: 6541-48-6
CAS Name: 3-(3,4-dimethoxyphenyl)-N-[2-(4-morpholinyl)-2-thiophen-2-ylethyl]-2-propenamide
OPENEYE Name: 3-(3,4-dimethoxyphenyl)-N-[2-morpholino-2-(2-thienyl)ethyl]prop-2-enamide
IUPAC Name: 3-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)prop-2-enamide
SYSTEMATIC NAME: 3-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-yl-ethyl)prop-2-enamide
MOLECULAR FORMULA: C21H26N2O4S
MOLECULAR WEIGHT: 402.50714
SMILES: COC1=C(C=C(C=C1)C=CC(=O)NCC(C2=CC=CS2)N3CCOCC3)OC
Structure:
CAS RN: 5217-98-1
CAS Name: N'-hydroxy-N-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-6-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]pentanediamide
OPENEYE Name: 5-(hydroxyamino)-N-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-5-oxo-pentanamide
IUPAC Name: N'-hydroxy-N-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]pentanediamide
SYSTEMATIC NAME: N-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-N'-oxidanyl-pentanediamide
MOLECULAR FORMULA: C33H37N5O6S
MOLECULAR WEIGHT: 631.74178
SMILES: CN1C=NN=C1SCC2CC(OC(O2)C3=CC=CC(=C3)C4=CC(=CC=C4)CNC(=O)CCCC(=O)NO)C5=CC=C(C=C5)CO
Structure:
CAS RN: 6023-56-9
CAS Name: 4-butyl-N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide
OPENEYE Name: 4-butyl-N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-(2-thienylmethyl)amino]-2-oxo-ethyl]benzamide
IUPAC Name: 4-butyl-N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide
SYSTEMATIC NAME: 4-butyl-N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]benzamide
MOLECULAR FORMULA: C28H31FN2O2S
MOLECULAR WEIGHT: 478.621343
SMILES: CCCCC1=CC=C(C=C1)C(=O)N(CC(=O)N(CC2=CC=C(C=C2)F)CC3=CC=CS3)C4CC4
Structure:
CAS RN: 6544-91-8
CAS Name: N-[2-(4-morpholinyl)-2-thiophen-2-ylethyl]-2-[(3-nitrophenyl)sulfonylamino]benzamide
OPENEYE Name: N-[2-morpholino-2-(2-thienyl)ethyl]-2-[(3-nitrophenyl)sulfonylamino]benzamide
IUPAC Name: N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide
SYSTEMATIC NAME: N-(2-morpholin-4-yl-2-thiophen-2-yl-ethyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide
MOLECULAR FORMULA: C23H24N4O6S2
MOLECULAR WEIGHT: 516.58986
SMILES: C1COCCN1C(CNC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C4=CC=CS4
Structure:
CAS RN: 6544-30-5
CAS Name: 1-(2-chlorophenyl)imino-2-(3,4-dichlorophenyl)-1,6-bis(diethylamino)-4,2,1$l^{5}-benzoxazaphosphorin-3-one
OPENEYE Name: 1-(2-chlorophenyl)imino-2-(3,4-dichlorophenyl)-1,6-bis(diethylamino)-4,2,1$l^{5}-benzoxazaphosphinin-3-one
IUPAC Name: 1-(2-chlorophenyl)imino-2-(3,4-dichlorophenyl)-1,6-bis(diethylamino)-4,2,1$l^{5}-benzoxazaphosphinin-3-one
SYSTEMATIC NAME: 1-(2-chlorophenyl)imino-2-(3,4-dichlorophenyl)-1,6-bis(diethylamino)-4,2,1$l^{5}-benzoxazaphosphinin-3-one
MOLECULAR FORMULA: C27H30Cl3N4O2P
MOLECULAR WEIGHT: 579.885461
SMILES: CCN(CC)C1=CC2=C(C=C1)P(=NC3=CC=CC=C3Cl)(N(C(=O)O2)C4=CC(=C(C=C4)Cl)Cl)N(CC)CC
Structure:
CAS RN: 5638-97-1
CAS Name: 4-(4-propylcyclohexyl)benzenecarboximidamide
OPENEYE Name: 4-(4-propylcyclohexyl)benzamidine
IUPAC Name: 4-(4-propylcyclohexyl)benzenecarboximidamide
SYSTEMATIC NAME: 4-(4-propylcyclohexyl)benzenecarboximidamide
MOLECULAR FORMULA: C16H24N2
MOLECULAR WEIGHT: 244.37516
SMILES: CCCC1CCC(CC1)C2=CC=C(C=C2)C(=N)N
Structure:
CAS RN: 6573-86-0
CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-(3-methylpentan-2-ylideneamino)benzamide
OPENEYE Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(1,2-dimethylbutylideneamino)benzamide
IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(3-methylpentan-2-ylideneamino)benzamide
SYSTEMATIC NAME: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(3-methylpentan-2-ylideneamino)benzamide
MOLECULAR FORMULA: C21H23N3OS2
MOLECULAR WEIGHT: 397.55682
SMILES: CCC(C)C(=NNC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2)C
Structure:
CAS RN: 6020-50-4
CAS Name: methanesulfonic acid [3-[[[(3-cyanoanilino)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester
OPENEYE Name: [3-[[(3-cyanophenyl)carbamoyl-isobutyl-amino]methyl]phenyl] methanesulfonate
IUPAC Name: [3-[[(3-cyanophenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate
SYSTEMATIC NAME: [3-[[(3-cyanophenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate
MOLECULAR FORMULA: C20H23N3O4S
MOLECULAR WEIGHT: 401.47932
SMILES: CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)NC2=CC=CC(=C2)C#N
Structure:
CAS RN: 6019-27-8
CAS Name: N-(2,3-dimethylphenyl)-4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepane-1-carboxamide
OPENEYE Name: 4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-N-(2,3-dimethylphenyl)-1,4-diazepane-1-carboxamide
IUPAC Name: 4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-(2,3-dimethylphenyl)-1,4-diazepane-1-carboxamide
SYSTEMATIC NAME: N-(2,3-dimethylphenyl)-4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepane-1-carboxamide
MOLECULAR FORMULA: C27H33N5O
MOLECULAR WEIGHT: 443.58382
SMILES: CC1=C(C(=CC=C1)NC(=O)N2CCCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4)C)C)C
Structure:
CAS RN: 6546-49-2
CAS Name: 2-[3-[4-[(5-oxo-2-phenyl-4-oxazolylidene)methyl]-1-phenyl-3-pyrazolyl]-1-pyridin-1-iumyl]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[3-[4-[(5-oxo-2-phenyl-oxazol-4-ylidene)methyl]-1-phenyl-pyrazol-3-yl]pyridin-1-ium-1-yl]acetate
IUPAC Name: ethyl 2-[3-[4-[(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]-1-phenylpyrazol-3-yl]pyridin-1-ium-1-yl]acetate
SYSTEMATIC NAME: ethyl 2-[3-[4-[(5-oxidanylidene-2-phenyl-1,3-oxazol-4-ylidene)methyl]-1-phenyl-pyrazol-3-yl]pyridin-1-ium-1-yl]ethanoate
MOLECULAR FORMULA: C28H23N4O4+
MOLECULAR WEIGHT: 479.50662
SMILES: CCOC(=O)C[N+]1=CC=CC(=C1)C2=NN(C=C2C=C3C(=O)OC(=N3)C4=CC=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 5877-40-7
CAS Name: 3-(3-chlorophenyl)-1-[1-[3-(4-ethylphenyl)-4-oxo-2-quinazolinyl]propyl]-1-propylurea
OPENEYE Name: 3-(3-chlorophenyl)-1-[1-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]propyl]-1-propyl-urea
IUPAC Name: 3-(3-chlorophenyl)-1-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-propylurea
SYSTEMATIC NAME: 3-(3-chlorophenyl)-1-[1-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]-1-propyl-urea
MOLECULAR FORMULA: C29H31ClN4O2
MOLECULAR WEIGHT: 503.03504
SMILES: CCCN(C(CC)C1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)CC)C(=O)NC4=CC(=CC=C4)Cl
Structure:
CAS RN: 5095-65-8
CAS Name: 4-(4-bromo-3-methylphenyl)thiazole
OPENEYE Name: 4-(4-bromo-3-methyl-phenyl)thiazole
IUPAC Name: 4-(4-bromo-3-methylphenyl)-1,3-thiazole
SYSTEMATIC NAME: 4-(4-bromanyl-3-methyl-phenyl)-1,3-thiazole
MOLECULAR FORMULA: C10H8BrNS
MOLECULAR WEIGHT: 254.14622
SMILES: CC1=C(C=CC(=C1)C2=CSC=N2)Br
Structure:
CAS RN: 5095-04-5
CAS Name: 2-[6,7-dimethyl-2-(4-phenylphenyl)-1H-indol-3-yl]acetic acid
OPENEYE Name: 2-[6,7-dimethyl-2-(4-phenylphenyl)-1H-indol-3-yl]acetic acid
IUPAC Name: 2-[6,7-dimethyl-2-(4-phenylphenyl)-1H-indol-3-yl]acetic acid
SYSTEMATIC NAME: 2-[6,7-dimethyl-2-(4-phenylphenyl)-1H-indol-3-yl]ethanoic acid
MOLECULAR FORMULA: C24H21NO2
MOLECULAR WEIGHT: 355.42904
SMILES: CC1=C(C2=C(C=C1)C(=C(N2)C3=CC=C(C=C3)C4=CC=CC=C4)CC(=O)O)C
Structure:
CAS RN: 6230-87-1
CAS Name: 7-chloro-4-[(2,4-dimethoxyphenyl)-oxomethyl]-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
OPENEYE Name: 7-chloro-4-(2,4-dimethoxybenzoyl)-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
IUPAC Name: 7-chloro-4-(2,4-dimethoxybenzoyl)-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SYSTEMATIC NAME: 7-chloranyl-4-(2,4-dimethoxyphenyl)carbonyl-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
MOLECULAR FORMULA: C24H20ClFN2O4
MOLECULAR WEIGHT: 454.878003
SMILES: COC1=CC(=C(C=C1)C(=O)N2CC(=O)NC3=C(C2C4=CC=C(C=C4)F)C=C(C=C3)Cl)OC
Structure:
CAS RN: 5345-72-2
CAS Name: 2-[2-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-nitrophenoxy]-N-(3-fluorophenyl)acetamide
OPENEYE Name: 2-[2-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-nitro-phenoxy]-N-(3-fluorophenyl)acetamide
IUPAC Name: 2-[2-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-nitrophenoxy]-N-(3-fluorophenyl)acetamide
SYSTEMATIC NAME: 2-[2-[[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]iminomethyl]-6-nitro-phenoxy]-N-(3-fluorophenyl)ethanamide
MOLECULAR FORMULA: C23H16FN5O6
MOLECULAR WEIGHT: 477.401443
SMILES: C1=CC=C2C(=C1)C(=O)N(C(=O)N2)N=CC3=C(C(=CC=C3)[N+](=O)[O-])OCC(=O)NC4=CC(=CC=C4)F
Structure:
CAS RN: 5818-20-2
CAS Name: 5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]imidazolidine-2,4-dione
OPENEYE Name: 5-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]imidazolidine-2,4-dione
IUPAC Name: 5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]imidazolidine-2,4-dione
SYSTEMATIC NAME: 5-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]imidazolidine-2,4-dione
MOLECULAR FORMULA: C11H9N3O6
MOLECULAR WEIGHT: 279.20566
SMILES: COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C2C(=O)NC(=O)N2
Structure:
CAS RN: 6206-12-8
CAS Name: 1-[2-methyl-5-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]-2,3-dihydroindol-1-yl]ethanone
OPENEYE Name: 1-[2-methyl-5-[4-(2-pyridyl)piperazin-1-yl]sulfonyl-indolin-1-yl]ethanone
IUPAC Name: 1-[2-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
SYSTEMATIC NAME: 1-[2-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
MOLECULAR FORMULA: C20H24N4O3S
MOLECULAR WEIGHT: 400.49456
SMILES: CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=N4
Structure:
CAS RN: 6240-44-4
CAS Name: 2-[(1-methyl-3-indolyl)sulfonyl]-1-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
OPENEYE Name: 2-(1-methylindol-3-yl)sulfonyl-1-[3-(p-tolyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]ethanone
IUPAC Name: 2-(1-methylindol-3-yl)sulfonyl-1-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
SYSTEMATIC NAME: 2-(1-methylindol-3-yl)sulfonyl-1-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
MOLECULAR FORMULA: C25H23N3O3S2
MOLECULAR WEIGHT: 477.59842
SMILES: CC1=CC=C(C=C1)C2CC(=NN2C(=O)CS(=O)(=O)C3=CN(C4=CC=CC=C43)C)C5=CC=CS5
Structure:
CAS RN: 5294-32-6
CAS Name: 3-butan-2-yl-5-[[2-(2-fluorophenoxy)-9-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]methylidene]-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: 5-[[2-(2-fluorophenoxy)-9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]methylene]-3-sec-butyl-2-thioxo-thiazolidin-4-one
IUPAC Name: 3-butan-2-yl-5-[[2-(2-fluorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 3-butan-2-yl-5-[[2-(2-fluoranylphenoxy)-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C23H20FN3O3S2
MOLECULAR WEIGHT: 469.551603
SMILES: CCC(C)N1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)OC4=CC=CC=C4F)SC1=S
Structure:
CAS RN: 51163-29-2
CAS Name: 1-isocyanato-2,4-dimethylbenzene
OPENEYE Name: 1-isocyanato-2,4-dimethyl-benzene
IUPAC Name: 1-isocyanato-2,4-dimethylbenzene
SYSTEMATIC NAME: 1-isocyanato-2,4-dimethyl-benzene
MOLECULAR FORMULA: C9H9NO
MOLECULAR WEIGHT: 147.17386
SMILES: CC1=CC(=C(C=C1)N=C=O)C
Structure:
CAS RN: 6226-58-0
CAS Name: N-[2-(3,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-fluorobenzamide
OPENEYE Name: N-[2-(3,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-fluoro-benzamide
IUPAC Name: N-[2-(3,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-fluorobenzamide
SYSTEMATIC NAME: N-[2-(3,4-dimethylphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-fluoranyl-benzamide
MOLECULAR FORMULA: C20H18FN3O3S
MOLECULAR WEIGHT: 399.438623
SMILES: CC1=C(C=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4=CC(=CC=C4)F)C
Structure:
CAS RN: 5312-12-9
CAS Name: N-(3-chloro-2-methylphenyl)-2-[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]thio]acetamide
OPENEYE Name: 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-2-methyl-phenyl)acetamide
IUPAC Name: 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide
SYSTEMATIC NAME: N-(3-chloranyl-2-methyl-phenyl)-2-[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C18H17ClN4OS
MOLECULAR WEIGHT: 372.87178
SMILES: CC1=C(C=CC=C1Cl)NC(=O)CSC2=NNC(=N2)CC3=CC=CC=C3
Structure:
CAS RN: 5992-77-8
CAS Name: N-[1-[[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-4-methylbenzamide
OPENEYE Name: N-[1-[[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2-methyl-butyl]-4-methyl-benzamide
IUPAC Name: N-[1-[[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-4-methylbenzamide
SYSTEMATIC NAME: N-[1-[[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]-4-methyl-benzamide
MOLECULAR FORMULA: C23H24N4O4S
MOLECULAR WEIGHT: 452.52606
SMILES: CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=C(C=C4)C
Structure:
CAS RN: 6726-99-4
CAS Name: N'-[1-(4-fluorophenyl)ethenyl]-4-methoxybenzohydrazide
OPENEYE Name: N'-[1-(4-fluorophenyl)vinyl]-4-methoxy-benzohydrazide
IUPAC Name: N'-[1-(4-fluorophenyl)ethenyl]-4-methoxybenzohydrazide
SYSTEMATIC NAME: N'-[1-(4-fluorophenyl)ethenyl]-4-methoxy-benzohydrazide
MOLECULAR FORMULA: C16H15FN2O2
MOLECULAR WEIGHT: 286.300903
SMILES: COC1=CC=C(C=C1)C(=O)NNC(=C)C2=CC=C(C=C2)F
Structure:
CAS RN: 5988-80-7
CAS Name: 1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]-2-phenylmethoxyethanone
OPENEYE Name: 2-benzyloxy-1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]ethanone
IUPAC Name: 1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylmethoxyethanone
SYSTEMATIC NAME: 1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylmethoxy-ethanone
MOLECULAR FORMULA: C23H25N3O4
MOLECULAR WEIGHT: 407.4623
SMILES: COC1=CC=CC(=C1)C2=NOC(=N2)C3CCCN(C3)C(=O)COCC4=CC=CC=C4
Structure:
CAS RN: 5117-71-5
CAS Name: 1-[(2-bromophenyl)-(2,5-dimethylphenyl)methyl]-3-piperidinecarboxylic acid
OPENEYE Name: 1-[(2-bromophenyl)-(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid
IUPAC Name: 1-[(2-bromophenyl)-(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid
SYSTEMATIC NAME: 1-[(2-bromophenyl)-(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid
MOLECULAR FORMULA: C21H24BrNO2
MOLECULAR WEIGHT: 402.32476
SMILES: CC1=CC(=C(C=C1)C)C(C2=CC=CC=C2Br)N3CCCC(C3)C(=O)O
Structure:
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