CAS RN: 5510-12-3
CAS Name: 1-(2-bromo-4-chlorophenyl)sulfonyl-2-methylimidazole
OPENEYE Name: 1-(2-bromo-4-chloro-phenyl)sulfonyl-2-methyl-imidazole
IUPAC Name: 1-(2-bromo-4-chlorophenyl)sulfonyl-2-methylimidazole
SYSTEMATIC NAME: 1-(2-bromanyl-4-chloranyl-phenyl)sulfonyl-2-methyl-imidazole
MOLECULAR FORMULA: C10H8BrClN2O2S
MOLECULAR WEIGHT: 335.60472
SMILES: CC1=NC=CN1S(=O)(=O)C2=C(C=C(C=C2)Cl)Br
Structure:
CAS RN: 5759-68-2
CAS Name: 4-[(2,2-dimethyl-1-oxopropyl)amino]-N-(2-methoxyphenyl)benzamide
OPENEYE Name: 4-(2,2-dimethylpropanoylamino)-N-(2-methoxyphenyl)benzamide
IUPAC Name: 4-(2,2-dimethylpropanoylamino)-N-(2-methoxyphenyl)benzamide
SYSTEMATIC NAME: 4-(2,2-dimethylpropanoylamino)-N-(2-methoxyphenyl)benzamide
MOLECULAR FORMULA: C19H22N2O3
MOLECULAR WEIGHT: 326.38958
SMILES: CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2OC
Structure:
CAS RN: 66063-69-2
CAS Name: N-[4-(4-chlorophenyl)-2-thiazolyl]-3-pyridinecarboxamide
OPENEYE Name: N-[4-(4-chlorophenyl)thiazol-2-yl]pyridine-3-carboxamide
IUPAC Name: N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SYSTEMATIC NAME: N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
MOLECULAR FORMULA: C15H10ClN3OS
MOLECULAR WEIGHT: 315.7774
SMILES: C1=CC(=CN=C1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 41776-89-0
CAS Name: (2E)-2-[(4-methoxyphenyl)methylidene]-1-thiazolo[3,2-a]benzimidazolone
OPENEYE Name: (2E)-2-[(4-methoxyphenyl)methylene]thiazolo[3,2-a]benzimidazol-1-one
IUPAC Name: (2E)-2-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SYSTEMATIC NAME: (2E)-2-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
MOLECULAR FORMULA: C17H12N2O2S
MOLECULAR WEIGHT: 308.35438
SMILES: COC1=CC=C(C=C1)/C=C/2\C(=O)N3C4=CC=CC=C4N=C3S2
Structure:
CAS RN: 584-26-9
CAS Name: 1-acetyl-2-sulfanylidene-4-imidazolidinone
OPENEYE Name: 1-acetyl-2-thioxo-imidazolidin-4-one
IUPAC Name: 1-acetyl-2-sulfanylideneimidazolidin-4-one
SYSTEMATIC NAME: 1-ethanoyl-2-sulfanylidene-imidazolidin-4-one
MOLECULAR FORMULA: C5H6N2O2S
MOLECULAR WEIGHT: 158.17834
SMILES: CC(=O)N1CC(=O)NC1=S
Structure:
CAS RN: 5139-04-8
CAS Name: 1-methyl-4-phenyl-2-quinolinone
OPENEYE Name: 1-methyl-4-phenyl-quinolin-2-one
IUPAC Name: 1-methyl-4-phenylquinolin-2-one
SYSTEMATIC NAME: 1-methyl-4-phenyl-quinolin-2-one
MOLECULAR FORMULA: C16H13NO
MOLECULAR WEIGHT: 235.28052
SMILES: CN1C2=CC=CC=C2C(=CC1=O)C3=CC=CC=C3
Structure:
CAS RN: 1519-70-6
CAS Name: [4-(carbamothioylamino)phenyl]thiourea
OPENEYE Name: [4-(carbamothioylamino)phenyl]thiourea
IUPAC Name: [4-(carbamothioylamino)phenyl]thiourea
SYSTEMATIC NAME: 1-[4-(carbamothioylamino)phenyl]thiourea
MOLECULAR FORMULA: C8H10N4S2
MOLECULAR WEIGHT: 226.3218
SMILES: C1=CC(=CC=C1NC(=S)N)NC(=S)N
Structure:
CAS RN: 13732-26-8
CAS Name: 2-(phenylhydrazinylidene)propanedioic acid dimethyl ester
OPENEYE Name: dimethyl 2-(phenylhydrazono)propanedioate
IUPAC Name: dimethyl 2-(phenylhydrazinylidene)propanedioate
SYSTEMATIC NAME: dimethyl 2-(phenylhydrazinylidene)propanedioate
MOLECULAR FORMULA: C11H12N2O4
MOLECULAR WEIGHT: 236.22398
SMILES: COC(=O)C(=NNC1=CC=CC=C1)C(=O)OC
Structure:
CAS RN: 39267-04-4
CAS Name: 2,3-dichloro-6-methoxyquinoxaline
OPENEYE Name: 2,3-dichloro-6-methoxy-quinoxaline
IUPAC Name: 2,3-dichloro-6-methoxyquinoxaline
SYSTEMATIC NAME: 2,3-bis(chloranyl)-6-methoxy-quinoxaline
MOLECULAR FORMULA: C9H6Cl2N2O
MOLECULAR WEIGHT: 229.06274
SMILES: COC1=CC2=C(C=C1)N=C(C(=N2)Cl)Cl
Structure:
CAS RN: 131690-60-3
CAS Name: (3S)-3-amino-3-(4-chlorophenyl)propanoic acid
OPENEYE Name: (3S)-3-amino-3-(4-chlorophenyl)propanoic acid
IUPAC Name: (3S)-3-amino-3-(4-chlorophenyl)propanoic acid
SYSTEMATIC NAME: (3S)-3-azanyl-3-(4-chlorophenyl)propanoic acid
MOLECULAR FORMULA: C9H10ClNO2
MOLECULAR WEIGHT: 199.6342
SMILES: C1=CC(=CC=C1[C@H](CC(=O)O)N)Cl
Structure:
CAS RN: 131690-56-7
CAS Name: (3S)-3-amino-3-(4-methoxyphenyl)propanoic acid
OPENEYE Name: (3S)-3-amino-3-(4-methoxyphenyl)propanoic acid
IUPAC Name: (3S)-3-amino-3-(4-methoxyphenyl)propanoic acid
SYSTEMATIC NAME: (3S)-3-azanyl-3-(4-methoxyphenyl)propanoic acid
MOLECULAR FORMULA: C10H13NO3
MOLECULAR WEIGHT: 195.21512
SMILES: COC1=CC=C(C=C1)[C@H](CC(=O)O)N
Structure:
CAS RN: 131690-57-8
CAS Name: (3R)-3-amino-3-(4-methoxyphenyl)propanoic acid
OPENEYE Name: (3R)-3-amino-3-(4-methoxyphenyl)propanoic acid
IUPAC Name: (3R)-3-amino-3-(4-methoxyphenyl)propanoic acid
SYSTEMATIC NAME: (3R)-3-azanyl-3-(4-methoxyphenyl)propanoic acid
MOLECULAR FORMULA: C10H13NO3
MOLECULAR WEIGHT: 195.21512
SMILES: COC1=CC=C(C=C1)[C@@H](CC(=O)O)N
Structure:
CAS RN: 5657-95-4
CAS Name: 1-(3,4-dichlorophenyl)-3-(6-methyl-2-pyridinyl)urea
OPENEYE Name: 1-(3,4-dichlorophenyl)-3-(6-methyl-2-pyridyl)urea
IUPAC Name: 1-(3,4-dichlorophenyl)-3-(6-methylpyridin-2-yl)urea
SYSTEMATIC NAME: 1-(3,4-dichlorophenyl)-3-(6-methylpyridin-2-yl)urea
MOLECULAR FORMULA: C13H11Cl2N3O
MOLECULAR WEIGHT: 296.15194
SMILES: CC1=NC(=CC=C1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl
Structure:
CAS RN: 5792-16-5
CAS Name: N-(4-ethylphenyl)-2-(2-pyridinylthio)acetamide
OPENEYE Name: N-(4-ethylphenyl)-2-(2-pyridylsulfanyl)acetamide
IUPAC Name: N-(4-ethylphenyl)-2-pyridin-2-ylsulfanylacetamide
SYSTEMATIC NAME: N-(4-ethylphenyl)-2-pyridin-2-ylsulfanyl-ethanamide
MOLECULAR FORMULA: C15H16N2OS
MOLECULAR WEIGHT: 272.36534
SMILES: CCC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=N2
Structure:
CAS RN: 5325-21-3
CAS Name: N-[2-[(2,5-dimethylphenyl)-oxomethyl]phenyl]-2-pyridinecarboxamide
OPENEYE Name: N-[2-(2,5-dimethylbenzoyl)phenyl]pyridine-2-carboxamide
IUPAC Name: N-[2-(2,5-dimethylbenzoyl)phenyl]pyridine-2-carboxamide
SYSTEMATIC NAME: N-[2-(2,5-dimethylphenyl)carbonylphenyl]pyridine-2-carboxamide
MOLECULAR FORMULA: C21H18N2O2
MOLECULAR WEIGHT: 330.37982
SMILES: CC1=CC(=C(C=C1)C)C(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=N3
Structure:
CAS RN: 64518-90-7
CAS Name: 4-[(4-phenylmethoxyphenyl)methylideneamino]benzoic acid
OPENEYE Name: 4-[(4-benzyloxyphenyl)methyleneamino]benzoic acid
IUPAC Name: 4-[(4-phenylmethoxyphenyl)methylideneamino]benzoic acid
SYSTEMATIC NAME: 4-[(4-phenylmethoxyphenyl)methylideneamino]benzoic acid
MOLECULAR FORMULA: C21H17NO3
MOLECULAR WEIGHT: 331.36458
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)C=NC3=CC=C(C=C3)C(=O)O
Structure:
CAS RN: 31992-43-5
CAS Name: 1-(3-aminophenyl)-2-pyrrolidinone
OPENEYE Name: 1-(3-aminophenyl)pyrrolidin-2-one
IUPAC Name: 1-(3-aminophenyl)pyrrolidin-2-one
SYSTEMATIC NAME: 1-(3-aminophenyl)pyrrolidin-2-one
MOLECULAR FORMULA: C10H12N2O
MOLECULAR WEIGHT: 176.21508
SMILES: C1CC(=O)N(C1)C2=CC(=CC=C2)N
Structure:
CAS RN: 6220-48-0
CAS Name: 3-(2,5-dioxo-1-pyrrolidinyl)benzoic acid phenacyl ester
OPENEYE Name: phenacyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate
IUPAC Name: phenacyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: phenacyl 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate
MOLECULAR FORMULA: C19H15NO5
MOLECULAR WEIGHT: 337.3261
SMILES: C1CC(=O)N(C1=O)C2=CC=CC(=C2)C(=O)OCC(=O)C3=CC=CC=C3
Structure:
CAS RN: 5214-29-9
CAS Name: 4-(methylthio)-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one
OPENEYE Name: 4-methylsulfanyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one
IUPAC Name: 4-methylsulfanyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one
SYSTEMATIC NAME: 4-methylsulfanyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one
MOLECULAR FORMULA: C20H15N3OS
MOLECULAR WEIGHT: 345.4176
SMILES: CSC1=NC(=NC2=C1C(=O)C=C(N2)C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 13906-09-7
CAS Name: 2-sulfanylidene-1H-quinazolin-4-one
OPENEYE Name: 2-thioxo-1H-quinazolin-4-one
IUPAC Name: 2-sulfanylidene-1H-quinazolin-4-one
SYSTEMATIC NAME: 2-sulfanylidene-1H-quinazolin-4-one
MOLECULAR FORMULA: C8H6N2OS
MOLECULAR WEIGHT: 178.21104
SMILES: C1=CC=C2C(=C1)C(=O)NC(=S)N2
Structure:
CAS RN: 179943-57-8
CAS Name: 7-bromo-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 7-bromo-4-oxo-1H-quinoline-3-carboxylate
IUPAC Name: ethyl 7-bromo-4-oxo-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 7-bromanyl-4-oxidanylidene-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C12H10BrNO3
MOLECULAR WEIGHT: 296.1167
SMILES: CCOC(=O)C1=CNC2=C(C1=O)C=CC(=C2)Br
Structure:
CAS RN: 2227-79-4
CAS Name: benzenecarbothioamide
OPENEYE Name: benzenecarbothioamide
IUPAC Name: benzenecarbothioamide
SYSTEMATIC NAME: benzenecarbothioamide
MOLECULAR FORMULA: C7H7NS
MOLECULAR WEIGHT: 137.20218
SMILES: C1=CC=C(C=C1)C(=S)N
Structure:
CAS RN: 32407-65-1
CAS Name: 1-(4-nitro-1-pyrazolyl)-2-propanone
OPENEYE Name: 1-(4-nitropyrazol-1-yl)propan-2-one
IUPAC Name: 1-(4-nitropyrazol-1-yl)propan-2-one
SYSTEMATIC NAME: 1-(4-nitropyrazol-1-yl)propan-2-one
MOLECULAR FORMULA: C6H7N3O3
MOLECULAR WEIGHT: 169.13808
SMILES: CC(=O)CN1C=C(C=N1)[N+](=O)[O-]
Structure:
CAS RN: 5761-58-0
CAS Name: 2-(3-nitro-1-pyrazolyl)-1-phenylethanone
OPENEYE Name: 2-(3-nitropyrazol-1-yl)-1-phenyl-ethanone
IUPAC Name: 2-(3-nitropyrazol-1-yl)-1-phenylethanone
SYSTEMATIC NAME: 2-(3-nitropyrazol-1-yl)-1-phenyl-ethanone
MOLECULAR FORMULA: C11H9N3O3
MOLECULAR WEIGHT: 231.20746
SMILES: C1=CC=C(C=C1)C(=O)CN2C=CC(=N2)[N+](=O)[O-]
Structure:
CAS RN: 5761-57-9
CAS Name: 2-(5-methyl-3-nitro-1-pyrazolyl)-1-phenylethanone
OPENEYE Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-1-phenyl-ethanone
IUPAC Name: 2-(5-methyl-3-nitropyrazol-1-yl)-1-phenylethanone
SYSTEMATIC NAME: 2-(5-methyl-3-nitro-pyrazol-1-yl)-1-phenyl-ethanone
MOLECULAR FORMULA: C12H11N3O3
MOLECULAR WEIGHT: 245.23404
SMILES: CC1=CC(=NN1CC(=O)C2=CC=CC=C2)[N+](=O)[O-]
Structure:
CAS RN: 5950-88-9
CAS Name: 3-(2,4-dichlorophenyl)-4-methyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 3-(2,4-dichlorophenyl)-4-methyl-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-(2,4-dichlorophenyl)-4-methyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-(2,4-dichlorophenyl)-4-methyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C9H7Cl2N3S
MOLECULAR WEIGHT: 260.14298
SMILES: CN1C(=NNC1=S)C2=C(C=C(C=C2)Cl)Cl
Structure:
CAS RN: 37489-49-9
CAS Name: 3-(3-chlorophenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione
OPENEYE Name: 3-(3-chlorophenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione
IUPAC Name: 3-(3-chlorophenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione
SYSTEMATIC NAME: 3-(3-chlorophenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione
MOLECULAR FORMULA: C13H15ClN2S
MOLECULAR WEIGHT: 266.7896
SMILES: CC1=CC(NC(=S)N1C2=CC(=CC=C2)Cl)(C)C
Structure:
CAS RN: 41776-82-3
CAS Name: (2Z)-2-[(2-hydroxyphenyl)methylidene]-1-thiazolo[3,2-a]benzimidazolone
OPENEYE Name: (2Z)-2-[(2-hydroxyphenyl)methylene]thiazolo[3,2-a]benzimidazol-1-one
IUPAC Name: (2Z)-2-[(2-hydroxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SYSTEMATIC NAME: (2Z)-2-[(2-hydroxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
MOLECULAR FORMULA: C16H10N2O2S
MOLECULAR WEIGHT: 294.3278
SMILES: C1=CC=C(C(=C1)/C=C\2/C(=O)N3C4=CC=CC=C4N=C3S2)O
Structure:
CAS RN: 39263-82-6
CAS Name: 3-phenyl-1,3,4-triazaspiro[4.6]undecane-2-thione
OPENEYE Name: 3-phenyl-1,3,4-triazaspiro[4.6]undecane-2-thione
IUPAC Name: 3-phenyl-1,3,4-triazaspiro[4.6]undecane-2-thione
SYSTEMATIC NAME: 3-phenyl-1,3,4-triazaspiro[4.6]undecane-2-thione
MOLECULAR FORMULA: C14H19N3S
MOLECULAR WEIGHT: 261.38576
SMILES: C1CCCC2(CC1)NC(=S)N(N2)C3=CC=CC=C3
Structure:
CAS RN: 5510-09-8
CAS Name: 4-methyl-1-(1-naphthalenylsulfonyl)piperidine
OPENEYE Name: 4-methyl-1-(1-naphthylsulfonyl)piperidine
IUPAC Name: 4-methyl-1-naphthalen-1-ylsulfonylpiperidine
SYSTEMATIC NAME: 4-methyl-1-naphthalen-1-ylsulfonyl-piperidine
MOLECULAR FORMULA: C16H19NO2S
MOLECULAR WEIGHT: 289.39256
SMILES: CC1CCN(CC1)S(=O)(=O)C2=CC=CC3=CC=CC=C32
Structure:
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