CAS RN: 76383-20-5
CAS Name: (6Z)-6-[[[2-(phenylmethylthio)-1,3-benzothiazol-6-yl]amino]methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-6-[[(2-benzylsulfanyl-1,3-benzothiazol-6-yl)amino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-6-[[(2-benzylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[[[2-(phenylmethylsulfanyl)-1,3-benzothiazol-6-yl]amino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C21H16N2OS2
MOLECULAR WEIGHT: 376.49454
SMILES: C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)N/C=C\4/C=CC=CC4=O
Structure:
CAS RN: 76418-38-7
CAS Name: (6Z)-6-[[[2-(hexadecylthio)-1,3-benzothiazol-6-yl]amino]methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-6-[[(2-hexadecylsulfanyl-1,3-benzothiazol-6-yl)amino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-6-[[(2-hexadecylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[[(2-hexadecylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C30H42N2OS2
MOLECULAR WEIGHT: 510.79728
SMILES: CCCCCCCCCCCCCCCCSC1=NC2=C(S1)C=C(C=C2)N/C=C\3/C=CC=CC3=O
Structure:
CAS RN: 76383-19-2
CAS Name: (6Z)-6-[[[2-(nonylthio)-1,3-benzothiazol-6-yl]amino]methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-6-[[(2-nonylsulfanyl-1,3-benzothiazol-6-yl)amino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-6-[[(2-nonylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[[(2-nonylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C23H28N2OS2
MOLECULAR WEIGHT: 412.61122
SMILES: CCCCCCCCCSC1=NC2=C(S1)C=C(C=C2)N/C=C\3/C=CC=CC3=O
Structure:
CAS RN: 76383-18-1
CAS Name: (6Z)-6-[[[2-(octylthio)-1,3-benzothiazol-6-yl]amino]methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-6-[[(2-octylsulfanyl-1,3-benzothiazol-6-yl)amino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-6-[[(2-octylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[[(2-octylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C22H26N2OS2
MOLECULAR WEIGHT: 398.58464
SMILES: CCCCCCCCSC1=NC2=C(S1)C=C(C=C2)N/C=C\3/C=CC=CC3=O
Structure:
CAS RN: 76383-17-0
CAS Name: (6Z)-6-[[[2-(heptylthio)-1,3-benzothiazol-6-yl]amino]methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-6-[[(2-heptylsulfanyl-1,3-benzothiazol-6-yl)amino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-6-[[(2-heptylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[[(2-heptylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C21H24N2OS2
MOLECULAR WEIGHT: 384.55806
SMILES: CCCCCCCSC1=NC2=C(S1)C=C(C=C2)N/C=C\3/C=CC=CC3=O
Structure:
CAS RN: 76383-16-9
CAS Name: (6Z)-6-[[[2-(hexylthio)-1,3-benzothiazol-6-yl]amino]methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-6-[[(2-hexylsulfanyl-1,3-benzothiazol-6-yl)amino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-6-[[(2-hexylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[[(2-hexylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C20H22N2OS2
MOLECULAR WEIGHT: 370.53148
SMILES: CCCCCCSC1=NC2=C(S1)C=C(C=C2)N/C=C\3/C=CC=CC3=O
Structure:
CAS RN: 76383-15-8
CAS Name: (6Z)-6-[[[2-(cyclopentylthio)-1,3-benzothiazol-6-yl]amino]methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-6-[[(2-cyclopentylsulfanyl-1,3-benzothiazol-6-yl)amino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-6-[[(2-cyclopentylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[[(2-cyclopentylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C19H18N2OS2
MOLECULAR WEIGHT: 354.48902
SMILES: C1CCC(C1)SC2=NC3=C(S2)C=C(C=C3)N/C=C\4/C=CC=CC4=O
Structure:
CAS RN: 76383-13-6
CAS Name: (6Z)-6-[[[2-(2-methylpropylthio)-1,3-benzothiazol-6-yl]amino]methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-6-[[(2-isobutylsulfanyl-1,3-benzothiazol-6-yl)amino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-6-[[[2-(2-methylpropylsulfanyl)-1,3-benzothiazol-6-yl]amino]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[[[2-(2-methylpropylsulfanyl)-1,3-benzothiazol-6-yl]amino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C18H18N2OS2
MOLECULAR WEIGHT: 342.47832
SMILES: CC(C)CSC1=NC2=C(S1)C=C(C=C2)N/C=C\3/C=CC=CC3=O
Structure:
CAS RN: 76383-12-5
CAS Name: (6Z)-6-[[[2-(butylthio)-1,3-benzothiazol-6-yl]amino]methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-6-[[(2-butylsulfanyl-1,3-benzothiazol-6-yl)amino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-6-[[(2-butylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[[(2-butylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C18H18N2OS2
MOLECULAR WEIGHT: 342.47832
SMILES: CCCCSC1=NC2=C(S1)C=C(C=C2)N/C=C\3/C=CC=CC3=O
Structure:
CAS RN: 76383-11-4
CAS Name: (6Z)-6-[[[2-(prop-2-enylthio)-1,3-benzothiazol-6-yl]amino]methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-6-[[(2-allylsulfanyl-1,3-benzothiazol-6-yl)amino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-6-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C17H14N2OS2
MOLECULAR WEIGHT: 326.43586
SMILES: C=CCSC1=NC2=C(S1)C=C(C=C2)N/C=C\3/C=CC=CC3=O
Structure:
CAS RN: 76383-09-0
CAS Name: (6Z)-6-[[[2-(propylthio)-1,3-benzothiazol-6-yl]amino]methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-6-[[(2-propylsulfanyl-1,3-benzothiazol-6-yl)amino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-6-[[(2-propylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[[(2-propylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C17H16N2OS2
MOLECULAR WEIGHT: 328.45174
SMILES: CCCSC1=NC2=C(S1)C=C(C=C2)N/C=C\3/C=CC=CC3=O
Structure:
CAS RN: 76383-08-9
CAS Name: (6Z)-6-[[[2-(ethylthio)-1,3-benzothiazol-6-yl]amino]methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-6-[[(2-ethylsulfanyl-1,3-benzothiazol-6-yl)amino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-6-[[(2-ethylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[[(2-ethylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C16H14N2OS2
MOLECULAR WEIGHT: 314.42516
SMILES: CCSC1=NC2=C(S1)C=C(C=C2)N/C=C\3/C=CC=CC3=O
Structure:
CAS RN: 76383-07-8
CAS Name: (6Z)-6-[[[2-(methylthio)-1,3-benzothiazol-6-yl]amino]methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-6-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-6-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C15H12N2OS2
MOLECULAR WEIGHT: 300.39858
SMILES: CSC1=NC2=C(S1)C=C(C=C2)N/C=C\3/C=CC=CC3=O
Structure:
CAS RN: 24474-41-7
CAS Name: N-[(Z)-1,2-bis(methylthio)-2-nitrosoethenyl]hydroxylamine
OPENEYE Name: N-[(Z)-1,2-bis(methylsulfanyl)-2-nitroso-vinyl]hydroxylamine
IUPAC Name: N-[(Z)-1,2-bis(methylsulfanyl)-2-nitrosoethenyl]hydroxylamine
SYSTEMATIC NAME: N-[(Z)-1,2-bis(methylsulfanyl)-2-nitroso-ethenyl]hydroxylamine
MOLECULAR FORMULA: C4H8N2O2S2
MOLECULAR WEIGHT: 180.24852
SMILES: CS/C(=C(/N=O)\SC)/NO
Structure:
CAS RN: 72690-78-9
CAS Name: 2,3-dimethyl-2-oxiranecarboxylic acid [(6E,10E)-5-acetyloxy-3a-hydroxy-6,10-dimethyl-3-methylene-2-oxo-5,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-4-yl] ester
OPENEYE Name: [(6E,10E)-5-acetoxy-3a-hydroxy-6,10-dimethyl-3-methylene-2-oxo-5,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-4-yl] 2,3-dimethyloxirane-2-carboxylate
IUPAC Name: [(6E,10E)-5-acetyloxy-3a-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-5,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-4-yl] 2,3-dimethyloxirane-2-carboxylate
SYSTEMATIC NAME: [(6E,10E)-5-acetyloxy-6,10-dimethyl-3-methylidene-3a-oxidanyl-2-oxidanylidene-5,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-4-yl] 2,3-dimethyloxirane-2-carboxylate
MOLECULAR FORMULA: C22H28O8
MOLECULAR WEIGHT: 420.45292
SMILES: CC1C(O1)(C)C(=O)OC2C(/C(=C/CC/C(=C/C3C2(C(=C)C(=O)O3)O)/C)/C)OC(=O)C
Structure:
CAS RN: 72638-72-3
CAS Name: 2,3-dimethyl-2-oxiranecarboxylic acid [(6E,10E)-4-hydroxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl] ester
OPENEYE Name: [(6E,10E)-4-hydroxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl] 2,3-dimethyloxirane-2-carboxylate
IUPAC Name: [(6E,10E)-4-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl] 2,3-dimethyloxirane-2-carboxylate
SYSTEMATIC NAME: [(6E,10E)-6,10-dimethyl-3-methylidene-4-oxidanyl-2-oxidanylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl] 2,3-dimethyloxirane-2-carboxylate
MOLECULAR FORMULA: C20H26O6
MOLECULAR WEIGHT: 362.41684
SMILES: CC1C(O1)(C)C(=O)OC\2C(C3C(/C=C(/CC/C=C2\C)\C)OC(=O)C3=C)O
Structure:
CAS RN: 52018-85-6
CAS Name: 3-[(Z)-2-pyridinyl-(2-pyridinylhydrazinylidene)methyl]benzenesulfonic acid
OPENEYE Name: 3-[(Z)-C-(2-pyridyl)-N-(2-pyridylamino)carbonimidoyl]benzenesulfonic acid
IUPAC Name: 3-[(Z)-C-pyridin-2-yl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonic acid
SYSTEMATIC NAME: 3-[(Z)-C-pyridin-2-yl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonic acid
MOLECULAR FORMULA: C17H14N4O3S
MOLECULAR WEIGHT: 354.38306
SMILES: C1=CC=NC(=C1)/C(=N\NC2=CC=CC=N2)/C3=CC(=CC=C3)S(=O)(=O)O
Structure:
CAS RN: 56077-43-1
CAS Name: N-[4-[oxo-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]methyl]phenyl]acetamide
OPENEYE Name: N-[4-[[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]carbamoyl]phenyl]acetamide
IUPAC Name: N-[4-[[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]carbamoyl]phenyl]acetamide
SYSTEMATIC NAME: N-[4-[[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]carbamoyl]phenyl]ethanamide
MOLECULAR FORMULA: C16H15N3O3
MOLECULAR WEIGHT: 297.3086
SMILES: CC(=O)NC1=CC=C(C=C1)C(=O)NNC=C2C=CC(=O)C=C2
Structure:
CAS RN: 56077-41-9
CAS Name: N-[4-[oxo-[(6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]methyl]phenyl]acetamide
OPENEYE Name: N-[4-[[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]carbamoyl]phenyl]acetamide
IUPAC Name: N-[4-[[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]carbamoyl]phenyl]acetamide
SYSTEMATIC NAME: N-[4-[[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methylamino]carbamoyl]phenyl]ethanamide
MOLECULAR FORMULA: C16H15N3O3
MOLECULAR WEIGHT: 297.3086
SMILES: CC(=O)NC1=CC=C(C=C1)C(=O)NNC=C2C=CC=CC2=O
Structure:
CAS RN: 56077-40-8
CAS Name: N-[4-[[(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-oxomethyl]phenyl]acetamide
OPENEYE Name: N-[4-[[(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]carbamoyl]phenyl]acetamide
IUPAC Name: N-[4-[[(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]carbamoyl]phenyl]acetamide
SYSTEMATIC NAME: N-[4-[[(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]carbamoyl]phenyl]ethanamide
MOLECULAR FORMULA: C17H17N3O4
MOLECULAR WEIGHT: 327.33458
SMILES: CC(=O)NC1=CC=C(C=C1)C(=O)NNC=C2C=CC(=O)C(=C2)OC
Structure:
CAS RN: 70866-50-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H25NO10
MOLECULAR WEIGHT: 523.4881
SMILES: COC1=C(C/2=C(C=C1)C(=O)N\3CCC4=CC5=C(C=C4/C3=C(/C(=C2/OC)/C(=O)OC)\C(=O)OC)OCO5)OC
Structure:
CAS RN: 81727-99-3
CAS Name: 1-[[(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-phenylmethyl]amino]-2-methylguanidine
OPENEYE Name: 1-[[(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-phenyl-methyl]amino]-2-methyl-guanidine
IUPAC Name: 1-[[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-phenylmethyl]amino]-2-methylguanidine
SYSTEMATIC NAME: 1-[[[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-phenyl-methyl]amino]-2-methyl-guanidine
MOLECULAR FORMULA: C15H14Cl2N4O
MOLECULAR WEIGHT: 337.20386
SMILES: CN=C(N)NNC(=C1C=C(C(=O)C(=C1)Cl)Cl)C2=CC=CC=C2
Structure:
CAS RN: 67773-75-5
CAS Name: (2Z,6Z,9Z,13Z)-6,13-dipentyl-1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene-2,3,9,10-tetracarbonitrile
OPENEYE Name: (2Z,6Z,9Z,13Z)-6,13-dipentyl-1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene-2,3,9,10-tetracarbonitrile
IUPAC Name: (2Z,6Z,9Z,13Z)-6,13-dipentyl-1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene-2,3,9,10-tetracarbonitrile
SYSTEMATIC NAME: (2Z,6Z,9Z,13Z)-6,13-dipentyl-1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene-2,3,9,10-tetracarbonitrile
MOLECULAR FORMULA: C24H28N8
MOLECULAR WEIGHT: 428.53272
SMILES: CCCCC/C/1=C/N/C(=C(\N=C/C(=C\N/C(=C(\N=C1)/C#N)/C#N)/CCCCC)/C#N)/C#N
Structure:
CAS RN: 123166-67-6
CAS Name: (3E,5E,7E,9E,11E,29E)-14,16,18,20,22,24,26,28-octahydroxy-15,31-dimethyl-32-propan-2-yl-1-oxacyclodotriaconta-3,5,7,9,11,29-hexaen-2-one
OPENEYE Name: (3E,5E,7E,9E,11E,29E)-14,16,18,20,22,24,26,28-octahydroxy-32-isopropyl-15,31-dimethyl-1-oxacyclodotriaconta-3,5,7,9,11,29-hexaen-2-one
IUPAC Name: (3E,5E,7E,9E,11E,29E)-14,16,18,20,22,24,26,28-octahydroxy-15,31-dimethyl-32-propan-2-yl-1-oxacyclodotriaconta-3,5,7,9,11,29-hexaen-2-one
SYSTEMATIC NAME: (3E,5E,7E,9E,11E,29E)-15,31-dimethyl-14,16,18,20,22,24,26,28-octakis(oxidanyl)-32-propan-2-yl-1-oxacyclodotriaconta-3,5,7,9,11,29-hexaen-2-one
MOLECULAR FORMULA: C36H58O10
MOLECULAR WEIGHT: 650.83972
SMILES: CC1/C=C/C(CC(CC(CC(CC(CC(CC(C(C(C/C=C/C=C/C=C/C=C/C=C/C(=O)OC1C(C)C)O)C)O)O)O)O)O)O)O
Structure:
CAS RN: 77579-66-9
CAS Name: 2-[1,2-bis(4-methoxyphenyl)butylamino]-N'-[(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]acetohydrazide
OPENEYE Name: 2-[1,2-bis(4-methoxyphenyl)butylamino]-N'-[(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]acetohydrazide
IUPAC Name: 2-[1,2-bis(4-methoxyphenyl)butylamino]-N'-[(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]acetohydrazide
SYSTEMATIC NAME: 2-[1,2-bis(4-methoxyphenyl)butylamino]-N'-[(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]ethanehydrazide
MOLECULAR FORMULA: C28H33N3O5
MOLECULAR WEIGHT: 491.57872
SMILES: CCC(C1=CC=C(C=C1)OC)C(C2=CC=C(C=C2)OC)NCC(=O)NNC=C3C=CC(=O)C(=C3)OC
Structure:
CAS RN: 68257-80-7
CAS Name: (6E)-6-(3-methyl-7-phenyl-4,6,7,8-tetrahydroisoxazolo[4,5-b]azepin-5-ylidene)-1-cyclohexa-2,4-dienone
OPENEYE Name: (6E)-6-(3-methyl-7-phenyl-4,6,7,8-tetrahydroisoxazolo[4,5-b]azepin-5-ylidene)cyclohexa-2,4-dien-1-one
IUPAC Name: (6E)-6-(3-methyl-7-phenyl-4,6,7,8-tetrahydro-[1,2]oxazolo[4,5-b]azepin-5-ylidene)cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6E)-6-(3-methyl-7-phenyl-4,6,7,8-tetrahydro-[1,2]oxazolo[4,5-b]azepin-5-ylidene)cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C20H18N2O2
MOLECULAR WEIGHT: 318.36912
SMILES: CC1=NOC2=C1N/C(=C/3\C=CC=CC3=O)/CC(C2)C4=CC=CC=C4
Structure:
CAS RN: 67536-93-0
CAS Name: 2-[[[3-[[(Z)-2-ethoxycarbonyl-3-oxobut-1-enyl]amino]-2-[[[(Z)-2-ethoxycarbonyl-3-oxobut-1-enyl]amino]methyl]-2-methylpropyl]amino]methylidene]-3-oxobutanoic acid ethyl ester
OPENEYE Name: ethyl 2-[[[3-[[(Z)-2-ethoxycarbonyl-3-oxo-but-1-enyl]amino]-2-[[[(Z)-2-ethoxycarbonyl-3-oxo-but-1-enyl]amino]methyl]-2-methyl-propyl]amino]methylene]-3-oxo-butanoate
IUPAC Name: ethyl 2-[[[3-[[(Z)-2-ethoxycarbonyl-3-oxobut-1-enyl]amino]-2-[[[(Z)-2-ethoxycarbonyl-3-oxobut-1-enyl]amino]methyl]-2-methylpropyl]amino]methylidene]-3-oxobutanoate
SYSTEMATIC NAME: ethyl 2-[[[3-[[(Z)-2-ethoxycarbonyl-3-oxidanylidene-but-1-enyl]amino]-2-[[[(Z)-2-ethoxycarbonyl-3-oxidanylidene-but-1-enyl]amino]methyl]-2-methyl-propyl]amino]methylidene]-3-oxidanylidene-butanoate
MOLECULAR FORMULA: C26H39N3O9
MOLECULAR WEIGHT: 537.60256
SMILES: CCOC(=O)C(=CNCC(CN/C=C(\C(=O)OCC)/C(=O)C)(CN/C=C(\C(=O)OCC)/C(=O)C)C)C(=O)C
Structure:
CAS RN: 70565-00-3
CAS Name: 3-[(6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]-2-indolone
OPENEYE Name: 3-[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]indol-2-one
IUPAC Name: 3-[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]indol-2-one
SYSTEMATIC NAME: 3-[2-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]indol-2-one
MOLECULAR FORMULA: C15H11N3O2
MOLECULAR WEIGHT: 265.26674
SMILES: C1=CC(=CNNC2=C3C=CC=CC3=NC2=O)C(=O)C=C1
Structure:
CAS RN: 66133-51-5
CAS Name: 2,2,2-trifluoro-N'-[(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]acetohydrazide
OPENEYE Name: 2,2,2-trifluoro-N'-[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]acetohydrazide
IUPAC Name: 2,2,2-trifluoro-N'-[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]acetohydrazide
SYSTEMATIC NAME: 2,2,2-tris(fluoranyl)-N'-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanehydrazide
MOLECULAR FORMULA: C9H7F3N2O2
MOLECULAR WEIGHT: 232.15929
SMILES: C1=CC(=CNNC(=O)C(F)(F)F)C(=O)C=C1
Structure:
CAS RN: 72229-35-7
CAS Name: 2-(hydroxymethyl)-3-methyl-2-oxiranecarboxylic acid [(10E)-8-hydroxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] ester
OPENEYE Name: [(10E)-8-hydroxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-(hydroxymethyl)-3-methyl-oxirane-2-carboxylate
IUPAC Name: [(10E)-8-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-(hydroxymethyl)-3-methyloxirane-2-carboxylate
SYSTEMATIC NAME: [(10E)-6,10-dimethyl-3-methylidene-8-oxidanyl-2-oxidanylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-(hydroxymethyl)-3-methyl-oxirane-2-carboxylate
MOLECULAR FORMULA: C20H26O7
MOLECULAR WEIGHT: 378.41624
SMILES: CC1C(O1)(CO)C(=O)OC2CC(=CC(C/C(=C/C3C2C(=C)C(=O)O3)/C)O)C
Structure:
CAS RN: 92736-15-7
CAS Name: (6Z)-6-[5-methyl-2-[6-[[(6E)-5-methyl-6-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyrimidin-2-yl]amino]hexylamino]-1H-pyrimidin-6-ylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-6-[5-methyl-2-[6-[[(6E)-5-methyl-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-2-yl]amino]hexylamino]-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-6-[5-methyl-2-[6-[[(6E)-5-methyl-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-2-yl]amino]hexylamino]-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[5-methyl-2-[6-[[(6E)-5-methyl-6-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-2-yl]amino]hexylamino]-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C28H32N6O2
MOLECULAR WEIGHT: 484.59268
SMILES: CC\1=CN=C(N/C1=C/2\C=CC=CC2=O)NCCCCCCNC3=NC=C(/C(=C/4\C=CC=CC4=O)/N3)C
Structure:
CAS RN: 79492-27-6
CAS Name: 2-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]isoindole-1,3-dione
OPENEYE Name: 2-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]isoindoline-1,3-dione
IUPAC Name: 2-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]isoindole-1,3-dione
MOLECULAR FORMULA: C15H10N2O3
MOLECULAR WEIGHT: 266.2515
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)NC=C3C=CC(=O)C=C3
Structure:
CAS RN: 62811-52-3
CAS Name: 2-cyclobutyl-7-hydroxy-3-methyl-1-benzopyran-4-one
OPENEYE Name: 2-cyclobutyl-7-hydroxy-3-methyl-chromen-4-one
IUPAC Name: 2-cyclobutyl-7-hydroxy-3-methylchromen-4-one
SYSTEMATIC NAME: 2-cyclobutyl-3-methyl-7-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C14H14O3
MOLECULAR WEIGHT: 230.25916
SMILES: CC1=C(OC2=C(C1=O)C=CC(=C2)O)C3CCC3
Structure:
CAS RN: 23460-01-7
CAS Name: 4-chloro-3,8-dihydroxy-6-methoxy-1-methyl-9-xanthenone
OPENEYE Name: 4-chloro-3,8-dihydroxy-6-methoxy-1-methyl-xanthen-9-one
IUPAC Name: 4-chloro-3,8-dihydroxy-6-methoxy-1-methylxanthen-9-one
SYSTEMATIC NAME: 4-chloranyl-6-methoxy-1-methyl-3,8-bis(oxidanyl)xanthen-9-one
MOLECULAR FORMULA: C15H11ClO5
MOLECULAR WEIGHT: 306.69784
SMILES: CC1=CC(=C(C2=C1C(=O)C3=C(C=C(C=C3O2)OC)O)Cl)O
Structure:
CAS RN: 68048-39-5
CAS Name: 4-chloro-3,6,8-trihydroxy-1-methyl-9-xanthenone
OPENEYE Name: 4-chloro-3,6,8-trihydroxy-1-methyl-xanthen-9-one
IUPAC Name: 4-chloro-3,6,8-trihydroxy-1-methylxanthen-9-one
SYSTEMATIC NAME: 4-chloranyl-1-methyl-3,6,8-tris(oxidanyl)xanthen-9-one
MOLECULAR FORMULA: C14H9ClO5
MOLECULAR WEIGHT: 292.67126
SMILES: CC1=CC(=C(C2=C1C(=O)C3=C(C=C(C=C3O2)O)O)Cl)O
Structure:
CAS RN: 66435-16-3
CAS Name: (5Z)-6-chloro-5-formyl-4,7,8,9-tetrahydrocycloocta[b]thiophene-2-carboxylic acid methyl ester
OPENEYE Name: methyl (5Z)-6-chloro-5-formyl-4,7,8,9-tetrahydrocycloocta[b]thiophene-2-carboxylate
IUPAC Name: methyl (5Z)-6-chloro-5-formyl-4,7,8,9-tetrahydrocycloocta[b]thiophene-2-carboxylate
SYSTEMATIC NAME: methyl (5Z)-6-chloranyl-5-methanoyl-4,7,8,9-tetrahydrocycloocta[b]thiophene-2-carboxylate
MOLECULAR FORMULA: C13H13ClO3S
MOLECULAR WEIGHT: 284.75852
SMILES: COC(=O)C1=CC2=C(S1)CCC/C(=C(\C2)/C=O)/Cl
Structure:
CAS RN: 53948-46-2
CAS Name: [3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropylideneamino]urea
OPENEYE Name: [3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropylideneamino]urea
IUPAC Name: [3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropylideneamino]urea
SYSTEMATIC NAME: 1-[3-[azanyl-[bis(2-chloroethyl)amino]phosphoryl]oxypropylideneamino]urea
MOLECULAR FORMULA: C8H18Cl2N5O3P
MOLECULAR WEIGHT: 334.139981
SMILES: C(COP(=O)(N)N(CCCl)CCCl)C=NNC(=O)N
Structure:
CAS RN: 67533-97-5
CAS Name: (9E)-5-(4-methoxyphenyl)-9-[(4-methoxyphenyl)methylidene]-5,6,7,8-tetrahydrothiazolo[2,3-b]quinazolin-3-one
OPENEYE Name: (9E)-5-(4-methoxyphenyl)-9-[(4-methoxyphenyl)methylene]-5,6,7,8-tetrahydrothiazolo[2,3-b]quinazolin-3-one
IUPAC Name: (9E)-5-(4-methoxyphenyl)-9-[(4-methoxyphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one
SYSTEMATIC NAME: (9E)-5-(4-methoxyphenyl)-9-[(4-methoxyphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one
MOLECULAR FORMULA: C25H24N2O3S
MOLECULAR WEIGHT: 432.53466
SMILES: COC1=CC=C(C=C1)/C=C/2\CCCC3=C2N=C4N(C3C5=CC=C(C=C5)OC)C(=O)CS4
Structure:
CAS RN: 78318-52-2
CAS Name: 3-[[(2,2-dimethylhydrazinyl)-sulfanylidenemethyl]thio]propanoic acid
OPENEYE Name: 3-(dimethylaminocarbamothioylsulfanyl)propanoic acid
IUPAC Name: 3-(dimethylaminocarbamothioylsulfanyl)propanoic acid
SYSTEMATIC NAME: 3-(dimethylaminocarbamothioylsulfanyl)propanoic acid
MOLECULAR FORMULA: C6H12N2O2S2
MOLECULAR WEIGHT: 208.30168
SMILES: CN(C)NC(=S)SCCC(=O)O
Structure:
CAS RN: 68350-66-3
CAS Name: (2E)-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)-2-phenylacetonitrile
OPENEYE Name: (2E)-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)-2-phenyl-acetonitrile
IUPAC Name: (2E)-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)-2-phenylacetonitrile
SYSTEMATIC NAME: (2E)-2-(3-oxidanylidene-1,4-dihydroquinoxalin-2-ylidene)-2-phenyl-ethanenitrile
MOLECULAR FORMULA: C16H11N3O
MOLECULAR WEIGHT: 261.27804
SMILES: C1=CC=C(C=C1)/C(=C\2/C(=O)NC3=CC=CC=C3N2)/C#N
Structure:
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