CAS RN: 6823-95-6
CAS Name: [(E)-(5-methyl-2-furanyl)methylideneamino]thiourea
OPENEYE Name: [(E)-(5-methyl-2-furyl)methyleneamino]thiourea
IUPAC Name: [(E)-(5-methylfuran-2-yl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-[(E)-(5-methylfuran-2-yl)methylideneamino]thiourea
MOLECULAR FORMULA: C7H9N3OS
MOLECULAR WEIGHT: 183.23086
SMILES: CC1=CC=C(O1)/C=N/NC(=S)N
Structure:
CAS RN: 16546-06-8
CAS Name: [(E)-1-(4-bromophenyl)ethylideneamino]thiourea
OPENEYE Name: [(E)-1-(4-bromophenyl)ethylideneamino]thiourea
IUPAC Name: [(E)-1-(4-bromophenyl)ethylideneamino]thiourea
SYSTEMATIC NAME: 1-[(E)-1-(4-bromophenyl)ethylideneamino]thiourea
MOLECULAR FORMULA: C9H10BrN3S
MOLECULAR WEIGHT: 272.1648
SMILES: C/C(=N\NC(=S)N)/C1=CC=C(C=C1)Br
Structure:
CAS RN: 97852-94-3
CAS Name: (Z)-3-(3,4-dimethoxyphenyl)-2-mercapto-2-propenoic acid
OPENEYE Name: (Z)-3-(3,4-dimethoxyphenyl)-2-sulfanyl-prop-2-enoic acid
IUPAC Name: (Z)-3-(3,4-dimethoxyphenyl)-2-sulfanylprop-2-enoic acid
SYSTEMATIC NAME: (Z)-3-(3,4-dimethoxyphenyl)-2-sulfanyl-prop-2-enoic acid
MOLECULAR FORMULA: C11H12O4S
MOLECULAR WEIGHT: 240.27558
SMILES: COC1=C(C=C(C=C1)/C=C(/C(=O)O)\S)OC
Structure:
CAS RN: 64231-10-3
CAS Name: 4-ethyl-7-hydroxy-1-benzopyran-2-one
OPENEYE Name: 4-ethyl-7-hydroxy-chromen-2-one
IUPAC Name: 4-ethyl-7-hydroxychromen-2-one
SYSTEMATIC NAME: 4-ethyl-7-oxidanyl-chromen-2-one
MOLECULAR FORMULA: C11H10O3
MOLECULAR WEIGHT: 190.1953
SMILES: CCC1=CC(=O)OC2=C1C=CC(=C2)O
Structure:
CAS RN: 81518-26-5
CAS Name: (6Z)-6-(4-phenyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-6-(4-phenyl-5-thioxo-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-6-(4-phenyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-(4-phenyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C14H11N3OS
MOLECULAR WEIGHT: 269.32164
SMILES: C1=CC=C(C=C1)N2/C(=C/3\C=CC=CC3=O)/NNC2=S
Structure:
CAS RN: 137987-96-3
CAS Name: 7-hydroxy-3-(4-methylphenoxy)-1-benzopyran-4-one
OPENEYE Name: 7-hydroxy-3-(4-methylphenoxy)chromen-4-one
IUPAC Name: 7-hydroxy-3-(4-methylphenoxy)chromen-4-one
SYSTEMATIC NAME: 3-(4-methylphenoxy)-7-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C16H12O4
MOLECULAR WEIGHT: 268.26408
SMILES: CC1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)O
Structure:
CAS RN: 708-08-7
CAS Name: (4Z)-4-[(hydroxyamino)methylidene]-5-(hydroxymethyl)-2-methyl-3-pyridinone
OPENEYE Name: (4Z)-4-[(hydroxyamino)methylene]-5-(hydroxymethyl)-2-methyl-pyridin-3-one
IUPAC Name: (4Z)-4-[(hydroxyamino)methylidene]-5-(hydroxymethyl)-2-methylpyridin-3-one
SYSTEMATIC NAME: (4Z)-5-(hydroxymethyl)-2-methyl-4-[(oxidanylamino)methylidene]pyridin-3-one
MOLECULAR FORMULA: C8H10N2O3
MOLECULAR WEIGHT: 182.1766
SMILES: CC1=NC=C(/C(=C/NO)/C1=O)CO
Structure:
CAS RN: 14938-70-6
CAS Name: 1-[[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]-3-phenylthiourea
OPENEYE Name: 1-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-3-phenyl-thiourea
IUPAC Name: 1-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-3-phenylthiourea
SYSTEMATIC NAME: 1-[[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]-3-phenyl-thiourea
MOLECULAR FORMULA: C14H13N3OS
MOLECULAR WEIGHT: 271.33752
SMILES: C1=CC=C(C=C1)NC(=S)NN/C=C/2\C=CC=CC2=O
Structure:
CAS RN: 6702-59-6
CAS Name: 2-[(5,7-dimethyl-4-oxo-1H-pyrido[2,3-d]pyrimidin-2-yl)thio]-N-phenylacetamide
OPENEYE Name: 2-[(5,7-dimethyl-4-oxo-1H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenyl-acetamide
IUPAC Name: 2-[(5,7-dimethyl-4-oxo-1H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
SYSTEMATIC NAME: 2-[(5,7-dimethyl-4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenyl-ethanamide
MOLECULAR FORMULA: C17H16N4O2S
MOLECULAR WEIGHT: 340.39954
SMILES: CC1=CC(=NC2=C1C(=O)N=C(N2)SCC(=O)NC3=CC=CC=C3)C
Structure:
CAS RN: 19064-16-5
CAS Name: (1Z)-2,6-difluorobenzaldehyde oxime
OPENEYE Name: (1Z)-2,6-difluorobenzaldehyde oxime
IUPAC Name: (NZ)-N-[(2,6-difluorophenyl)methylidene]hydroxylamine
SYSTEMATIC NAME: (NZ)-N-[[2,6-bis(fluoranyl)phenyl]methylidene]hydroxylamine
MOLECULAR FORMULA: C7H5F2NO
MOLECULAR WEIGHT: 157.117506
SMILES: C1=CC(=C(C(=C1)F)/C=N\O)F
Structure:
CAS RN: 86710-08-9
CAS Name: (Z)-2-(4-methylphenyl)-3-(3-nitrophenyl)-2-propenenitrile
OPENEYE Name: (Z)-3-(3-nitrophenyl)-2-(p-tolyl)prop-2-enenitrile
IUPAC Name: (Z)-2-(4-methylphenyl)-3-(3-nitrophenyl)prop-2-enenitrile
SYSTEMATIC NAME: (Z)-2-(4-methylphenyl)-3-(3-nitrophenyl)prop-2-enenitrile
MOLECULAR FORMULA: C16H12N2O2
MOLECULAR WEIGHT: 264.27868
SMILES: CC1=CC=C(C=C1)/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/C#N
Structure:
CAS RN: 20114-85-6
CAS Name: 4-[[(E)-(3,5-dichloro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]benzenesulfonamide
OPENEYE Name: 4-[[(E)-(3,5-dichloro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzenesulfonamide
IUPAC Name: 4-[[(E)-(3,5-dichloro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]benzenesulfonamide
SYSTEMATIC NAME: 4-[[(E)-[3,5-bis(chloranyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methyl]amino]benzenesulfonamide
MOLECULAR FORMULA: C13H10Cl2N2O3S
MOLECULAR WEIGHT: 345.2011
SMILES: C1=CC(=CC=C1N/C=C/2\C=C(C=C(C2=O)Cl)Cl)S(=O)(=O)N
Structure:
CAS RN: 7361-93-5
CAS Name: 2-[[(Z)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]benzoic acid
OPENEYE Name: 2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid
IUPAC Name: 2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid
SYSTEMATIC NAME: 2-[[(Z)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid
MOLECULAR FORMULA: C14H11NO3
MOLECULAR WEIGHT: 241.24204
SMILES: C1=CC=C(C(=C1)C(=O)O)N/C=C\2/C=CC=CC2=O
Structure:
CAS RN: 1823-47-8
CAS Name: (6Z)-6-[(2-pyridinylamino)methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-6-[(2-pyridylamino)methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-6-[(pyridin-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[(pyridin-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C12H10N2O
MOLECULAR WEIGHT: 198.2206
SMILES: C1=CC=NC(=C1)N/C=C\2/C=CC=CC2=O
Structure:
CAS RN: 77532-27-5
CAS Name: [(Z)-2H-acenaphthylen-1-ylideneamino]thiourea
OPENEYE Name: [(Z)-2H-acenaphthylen-1-ylideneamino]thiourea
IUPAC Name: [(Z)-2H-acenaphthylen-1-ylideneamino]thiourea
SYSTEMATIC NAME: 1-[(Z)-2H-acenaphthylen-1-ylideneamino]thiourea
MOLECULAR FORMULA: C13H11N3S
MOLECULAR WEIGHT: 241.31154
SMILES: C\1C2=CC=CC3=C2C(=CC=C3)/C1=N\NC(=S)N
Structure:
CAS RN: 24469-50-9
CAS Name: N-[(Z)-(phenylmethylene)amino]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[(Z)-benzylideneamino]carbamate
IUPAC Name: tert-butyl N-[(Z)-benzylideneamino]carbamate
SYSTEMATIC NAME: tert-butyl N-[(Z)-(phenylmethylidene)amino]carbamate
MOLECULAR FORMULA: C12H16N2O2
MOLECULAR WEIGHT: 220.26764
SMILES: CC(C)(C)OC(=O)N/N=C\C1=CC=CC=C1
Structure:
CAS RN: 18269-02-8
CAS Name: 2-hydroxy-N-[(Z)-(phenylmethylene)amino]benzamide
OPENEYE Name: N-[(Z)-benzylideneamino]-2-hydroxy-benzamide
IUPAC Name: N-[(Z)-benzylideneamino]-2-hydroxybenzamide
SYSTEMATIC NAME: 2-oxidanyl-N-[(Z)-(phenylmethylidene)amino]benzamide
MOLECULAR FORMULA: C14H12N2O2
MOLECULAR WEIGHT: 240.25728
SMILES: C1=CC=C(C=C1)/C=N\NC(=O)C2=CC=CC=C2O
Structure:
CAS RN: 35511-14-9
CAS Name: (3E)-3-[hydroxy(methoxy)methylidene]-1,1-dioxo-1$l^{6},2-benzothiazin-4-one
OPENEYE Name: (3E)-3-[hydroxy(methoxy)methylene]-1,1-dioxo-1$l^{6},2-benzothiazin-4-one
IUPAC Name: (3E)-3-[hydroxy(methoxy)methylidene]-1,1-dioxo-1$l^{6},2-benzothiazin-4-one
SYSTEMATIC NAME: (3E)-3-[methoxy(oxidanyl)methylidene]-1,1-bis(oxidanylidene)-1$l^{6},2-benzothiazin-4-one
MOLECULAR FORMULA: C10H9NO5S
MOLECULAR WEIGHT: 255.24716
SMILES: CO/C(=C/1\C(=O)C2=CC=CC=C2S(=O)(=O)N1)/O
Structure:
CAS RN: 19088-73-4
CAS Name: 7-hydroxy-2-oxo-1-benzopyran-3-carbonitrile
OPENEYE Name: 7-hydroxy-2-oxo-chromene-3-carbonitrile
IUPAC Name: 7-hydroxy-2-oxochromene-3-carbonitrile
SYSTEMATIC NAME: 7-oxidanyl-2-oxidanylidene-chromene-3-carbonitrile
MOLECULAR FORMULA: C10H5NO3
MOLECULAR WEIGHT: 187.1516
SMILES: C1=CC2=C(C=C1O)OC(=O)C(=C2)C#N
Structure:
CAS RN: 2829-46-1
CAS Name: 7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-carbonitrile
OPENEYE Name: 7-hydroxy-4-methyl-2-oxo-chromene-3-carbonitrile
IUPAC Name: 7-hydroxy-4-methyl-2-oxochromene-3-carbonitrile
SYSTEMATIC NAME: 4-methyl-7-oxidanyl-2-oxidanylidene-chromene-3-carbonitrile
MOLECULAR FORMULA: C11H7NO3
MOLECULAR WEIGHT: 201.17818
SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2)O)C#N
Structure:
CAS RN: 15235-99-1
CAS Name: 7-hydroxy-5-methyl-2-phenyl-1-benzopyran-4-one
OPENEYE Name: 7-hydroxy-5-methyl-2-phenyl-chromen-4-one
IUPAC Name: 7-hydroxy-5-methyl-2-phenylchromen-4-one
SYSTEMATIC NAME: 5-methyl-7-oxidanyl-2-phenyl-chromen-4-one
MOLECULAR FORMULA: C16H12O3
MOLECULAR WEIGHT: 252.26468
SMILES: CC1=CC(=CC2=C1C(=O)C=C(O2)C3=CC=CC=C3)O
Structure:
CAS RN: 492-00-2
CAS Name: 3,7-dihydroxy-2-phenyl-1-benzopyran-4-one
OPENEYE Name: 3,7-dihydroxy-2-phenyl-chromen-4-one
IUPAC Name: 3,7-dihydroxy-2-phenylchromen-4-one
SYSTEMATIC NAME: 3,7-bis(oxidanyl)-2-phenyl-chromen-4-one
MOLECULAR FORMULA: C15H10O4
MOLECULAR WEIGHT: 254.2375
SMILES: C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O
Structure:
CAS RN: 54375-47-2
CAS Name: 2-[carboxymethyl-[(7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl)methyl]amino]acetic acid
OPENEYE Name: 2-[carboxymethyl-[(7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methyl]amino]acetic acid
IUPAC Name: 2-[carboxymethyl-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl]amino]acetic acid
SYSTEMATIC NAME: 2-[2-hydroxy-2-oxoethyl-[(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl]amino]ethanoic acid
MOLECULAR FORMULA: C15H15NO7
MOLECULAR WEIGHT: 321.2821
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2CN(CC(=O)O)CC(=O)O)O
Structure:
CAS RN: 59061-91-5
CAS Name: (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoacetic acid methyl ester
OPENEYE Name: methyl (2Z)-2-[(4-chlorophenyl)hydrazono]-2-cyano-acetate
IUPAC Name: methyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoacetate
SYSTEMATIC NAME: methyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-2-cyano-ethanoate
MOLECULAR FORMULA: C10H8ClN3O2
MOLECULAR WEIGHT: 237.64242
SMILES: COC(=O)/C(=N\NC1=CC=C(C=C1)Cl)/C#N
Structure:
CAS RN: 19433-17-1
CAS Name: acetic acid [(E)-1-phenylethylideneamino] ester
OPENEYE Name: [(E)-1-phenylethylideneamino] acetate
IUPAC Name: [(E)-1-phenylethylideneamino] acetate
SYSTEMATIC NAME: [(E)-1-phenylethylideneamino] ethanoate
MOLECULAR FORMULA: C10H11NO2
MOLECULAR WEIGHT: 177.19984
SMILES: C/C(=N\OC(=O)C)/C1=CC=CC=C1
Structure:
CAS RN: 61171-34-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H26N4
MOLECULAR WEIGHT: 346.46864
SMILES: CN1CC[C@@]23[C@@H]4NC5=CC=CC=C5[C@@]2([C@@H]1NC6=CC=CC=C36)CCN4C
Structure:
CAS RN: 595-05-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H26N4
MOLECULAR WEIGHT: 346.46864
SMILES: CN1CC[C@@]23[C@@H]4NC5=CC=CC=C5[C@@]2([C@@H]1NC6=CC=CC=C36)CCN4C
Structure:
CAS RN: 10441-27-7
CAS Name: 3-acetyl-7-hydroxy-1-benzopyran-2-one
OPENEYE Name: 3-acetyl-7-hydroxy-chromen-2-one
IUPAC Name: 3-acetyl-7-hydroxychromen-2-one
SYSTEMATIC NAME: 3-ethanoyl-7-oxidanyl-chromen-2-one
MOLECULAR FORMULA: C11H8O4
MOLECULAR WEIGHT: 204.17882
SMILES: CC(=O)C1=CC2=C(C=C(C=C2)O)OC1=O
Structure:
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