CAS RN: 621-20-5
CAS Name: (1E)-1-(2-furanyl)-5-(3-nitrophenyl)-3-penta-1,4-dienone
OPENEYE Name: (1E)-1-(2-furyl)-5-(3-nitrophenyl)penta-1,4-dien-3-one
IUPAC Name: (1E)-1-(furan-2-yl)-5-(3-nitrophenyl)penta-1,4-dien-3-one
SYSTEMATIC NAME: (1E)-1-(furan-2-yl)-5-(3-nitrophenyl)penta-1,4-dien-3-one
MOLECULAR FORMULA: C15H11NO4
MOLECULAR WEIGHT: 269.25214
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)/C=C/C2=CC=CO2
Structure:
CAS RN: 61691-97-2
CAS Name: 1-(2-nitrophenyl)sulfonyl-4-(2-pyridinyl)piperazine
OPENEYE Name: 1-(2-nitrophenyl)sulfonyl-4-(2-pyridyl)piperazine
IUPAC Name: 1-(2-nitrophenyl)sulfonyl-4-pyridin-2-ylpiperazine
SYSTEMATIC NAME: 1-(2-nitrophenyl)sulfonyl-4-pyridin-2-yl-piperazine
MOLECULAR FORMULA: C15H16N4O4S
MOLECULAR WEIGHT: 348.37694
SMILES: C1CN(CCN1C2=CC=CC=N2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]
Structure:
CAS RN: 336880-01-4
CAS Name: 2-[(2-chloro-6-fluorophenyl)methoxy]benzaldehyde
OPENEYE Name: 2-[(2-chloro-6-fluoro-phenyl)methoxy]benzaldehyde
IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methoxy]benzaldehyde
SYSTEMATIC NAME: 2-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]benzaldehyde
MOLECULAR FORMULA: C14H10ClFO2
MOLECULAR WEIGHT: 264.679403
SMILES: C1=CC=C(C(=C1)C=O)OCC2=C(C=CC=C2Cl)F
Structure:
CAS RN: 336879-99-3
CAS Name: 3-[(2-chloro-6-fluorophenyl)methoxy]benzaldehyde
OPENEYE Name: 3-[(2-chloro-6-fluoro-phenyl)methoxy]benzaldehyde
IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methoxy]benzaldehyde
SYSTEMATIC NAME: 3-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]benzaldehyde
MOLECULAR FORMULA: C14H10ClFO2
MOLECULAR WEIGHT: 264.679403
SMILES: C1=CC(=CC(=C1)OCC2=C(C=CC=C2Cl)F)C=O
Structure:
CAS RN: 6079-50-1
CAS Name: 5-(5-chloro-2-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione
OPENEYE Name: 5-(5-chloro-2-methoxy-phenyl)-3H-1,3,4-oxadiazole-2-thione
IUPAC Name: 5-(5-chloro-2-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione
SYSTEMATIC NAME: 5-(5-chloranyl-2-methoxy-phenyl)-3H-1,3,4-oxadiazole-2-thione
MOLECULAR FORMULA: C9H7ClN2O2S
MOLECULAR WEIGHT: 242.68208
SMILES: COC1=C(C=C(C=C1)Cl)C2=NNC(=S)O2
Structure:
CAS RN: 1223-42-3
CAS Name: 4-[[anilino(sulfanylidene)methyl]amino]benzoic acid
OPENEYE Name: 4-(phenylcarbamothioylamino)benzoic acid
IUPAC Name: 4-(phenylcarbamothioylamino)benzoic acid
SYSTEMATIC NAME: 4-(phenylcarbamothioylamino)benzoic acid
MOLECULAR FORMULA: C14H12N2O2S
MOLECULAR WEIGHT: 272.32228
SMILES: C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C(=O)O
Structure:
CAS RN: 20158-14-9
CAS Name: 1-[(2-chlorophenyl)methylideneamino]-3-phenylthiourea
OPENEYE Name: 1-[(2-chlorophenyl)methyleneamino]-3-phenyl-thiourea
IUPAC Name: 1-[(2-chlorophenyl)methylideneamino]-3-phenylthiourea
SYSTEMATIC NAME: 1-[(2-chlorophenyl)methylideneamino]-3-phenyl-thiourea
MOLECULAR FORMULA: C14H12ClN3S
MOLECULAR WEIGHT: 289.78318
SMILES: C1=CC=C(C=C1)NC(=S)NN=CC2=CC=CC=C2Cl
Structure:
CAS RN: 129432-25-3
CAS Name: 2,6-dichloro-4-methyl-3-pyridinamine
OPENEYE Name: 2,6-dichloro-4-methyl-pyridin-3-amine
IUPAC Name: 2,6-dichloro-4-methylpyridin-3-amine
SYSTEMATIC NAME: 2,6-bis(chloranyl)-4-methyl-pyridin-3-amine
MOLECULAR FORMULA: C6H6Cl2N2
MOLECULAR WEIGHT: 177.03124
SMILES: CC1=CC(=NC(=C1N)Cl)Cl
Structure:
CAS RN: 4921-83-9
CAS Name: N-[(4-chloroanilino)-sulfanylidenemethyl]benzamide
OPENEYE Name: N-[(4-chlorophenyl)carbamothioyl]benzamide
IUPAC Name: N-[(4-chlorophenyl)carbamothioyl]benzamide
SYSTEMATIC NAME: N-[(4-chlorophenyl)carbamothioyl]benzamide
MOLECULAR FORMULA: C14H11ClN2OS
MOLECULAR WEIGHT: 290.76794
SMILES: C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)Cl
Structure:
CAS RN: 886-60-2
CAS Name: 1-phenyl-3-(2-pyridinyl)thiourea
OPENEYE Name: 1-phenyl-3-(2-pyridyl)thiourea
IUPAC Name: 1-phenyl-3-pyridin-2-ylthiourea
SYSTEMATIC NAME: 1-phenyl-3-pyridin-2-yl-thiourea
MOLECULAR FORMULA: C12H11N3S
MOLECULAR WEIGHT: 229.30084
SMILES: C1=CC=C(C=C1)NC(=S)NC2=CC=CC=N2
Structure:
CAS RN: 102-08-9
CAS Name: 1,3-diphenylthiourea
OPENEYE Name: 1,3-diphenylthiourea
IUPAC Name: 1,3-diphenylthiourea
SYSTEMATIC NAME: 1,3-diphenylthiourea
MOLECULAR FORMULA: C13H12N2S
MOLECULAR WEIGHT: 228.31278
SMILES: C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2
Structure:
CAS RN: 4921-91-9
CAS Name: N-[[(phenylmethyl)amino]-sulfanylidenemethyl]benzamide
OPENEYE Name: N-(benzylcarbamothioyl)benzamide
IUPAC Name: N-(benzylcarbamothioyl)benzamide
SYSTEMATIC NAME: N-[(phenylmethyl)carbamothioyl]benzamide
MOLECULAR FORMULA: C15H14N2OS
MOLECULAR WEIGHT: 270.34946
SMILES: C1=CC=C(C=C1)CNC(=S)NC(=O)C2=CC=CC=C2
Structure:
CAS RN: 144835-67-6
CAS Name: 2-methyl-3-imidazo[1,2-a]pyridinecarbohydrazide
OPENEYE Name: 2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
IUPAC Name: 2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
SYSTEMATIC NAME: 2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
MOLECULAR FORMULA: C9H10N4O
MOLECULAR WEIGHT: 190.2019
SMILES: CC1=C(N2C=CC=CC2=N1)C(=O)NN
Structure:
CAS RN: 35359-27-4
CAS Name: 5-methyl-2H-[1,2,4]triazolo[4,3-a]quinoline-1-thione
OPENEYE Name: 5-methyl-2H-[1,2,4]triazolo[4,3-a]quinoline-1-thione
IUPAC Name: 5-methyl-2H-[1,2,4]triazolo[4,3-a]quinoline-1-thione
SYSTEMATIC NAME: 5-methyl-2H-[1,2,4]triazolo[4,3-a]quinoline-1-thione
MOLECULAR FORMULA: C11H9N3S
MOLECULAR WEIGHT: 215.27426
SMILES: CC1=CC2=NNC(=S)N2C3=CC=CC=C13
Structure:
CAS RN: 5850-29-3
CAS Name: 1-(4-chlorophenyl)sulfonyl-2,4-dimethylimidazole
OPENEYE Name: 1-(4-chlorophenyl)sulfonyl-2,4-dimethyl-imidazole
IUPAC Name: 1-(4-chlorophenyl)sulfonyl-2,4-dimethylimidazole
SYSTEMATIC NAME: 1-(4-chlorophenyl)sulfonyl-2,4-dimethyl-imidazole
MOLECULAR FORMULA: C11H11ClN2O2S
MOLECULAR WEIGHT: 270.73524
SMILES: CC1=CN(C(=N1)C)S(=O)(=O)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 55446-68-9
CAS Name: 3-methyl-1-phenyl-5-(1-piperidinyl)-4-pyrazolecarboxaldehyde
OPENEYE Name: 3-methyl-1-phenyl-5-(1-piperidyl)pyrazole-4-carbaldehyde
IUPAC Name: 3-methyl-1-phenyl-5-piperidin-1-ylpyrazole-4-carbaldehyde
SYSTEMATIC NAME: 3-methyl-1-phenyl-5-piperidin-1-yl-pyrazole-4-carbaldehyde
MOLECULAR FORMULA: C16H19N3O
MOLECULAR WEIGHT: 269.34156
SMILES: CC1=NN(C(=C1C=O)N2CCCCC2)C3=CC=CC=C3
Structure:
CAS RN: 102493-68-5
CAS Name: 2-(2-chloro-6-nitrophenyl)ethanol
OPENEYE Name: 2-(2-chloro-6-nitro-phenyl)ethanol
IUPAC Name: 2-(2-chloro-6-nitrophenyl)ethanol
SYSTEMATIC NAME: 2-(2-chloranyl-6-nitro-phenyl)ethanol
MOLECULAR FORMULA: C8H8ClNO3
MOLECULAR WEIGHT: 201.60702
SMILES: C1=CC(=C(C(=C1)Cl)CCO)[N+](=O)[O-]
Structure:
CAS RN: 37469-24-2
CAS Name: 5,6-diphenyl-2H-1,2,4-triazine-3-thione
OPENEYE Name: 5,6-diphenyl-2H-1,2,4-triazine-3-thione
IUPAC Name: 5,6-diphenyl-2H-1,2,4-triazine-3-thione
SYSTEMATIC NAME: 5,6-diphenyl-2H-1,2,4-triazine-3-thione
MOLECULAR FORMULA: C15H11N3S
MOLECULAR WEIGHT: 265.33294
SMILES: C1=CC=C(C=C1)C2=NC(=S)NN=C2C3=CC=CC=C3
Structure:
CAS RN: 2010-15-3
CAS Name: 3-phenyl-2-sulfanylidene-4-imidazolidinone
OPENEYE Name: 3-phenyl-2-thioxo-imidazolidin-4-one
IUPAC Name: 3-phenyl-2-sulfanylideneimidazolidin-4-one
SYSTEMATIC NAME: 3-phenyl-2-sulfanylidene-imidazolidin-4-one
MOLECULAR FORMULA: C9H8N2OS
MOLECULAR WEIGHT: 192.23762
SMILES: C1C(=O)N(C(=S)N1)C2=CC=CC=C2
Structure:
CAS RN: 306280-02-4
CAS Name: 4-[(2-chlorophenyl)methoxy]-3-methoxybenzaldehyde
OPENEYE Name: 4-[(2-chlorophenyl)methoxy]-3-methoxy-benzaldehyde
IUPAC Name: 4-[(2-chlorophenyl)methoxy]-3-methoxybenzaldehyde
SYSTEMATIC NAME: 4-[(2-chlorophenyl)methoxy]-3-methoxy-benzaldehyde
MOLECULAR FORMULA: C15H13ClO3
MOLECULAR WEIGHT: 276.71492
SMILES: COC1=C(C=CC(=C1)C=O)OCC2=CC=CC=C2Cl
Structure:
CAS RN: 16710-12-6
CAS Name: (E)-3-(3-aminophenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(3-aminophenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(3-aminophenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(3-aminophenyl)prop-2-enoic acid
MOLECULAR FORMULA: C9H9NO2
MOLECULAR WEIGHT: 163.17326
SMILES: C1=CC(=CC(=C1)N)/C=C/C(=O)O
Structure:
CAS RN: 127791-53-1
CAS Name: (E)-3-(3-aminophenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(3-aminophenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(3-aminophenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(3-aminophenyl)prop-2-enoic acid
MOLECULAR FORMULA: C9H9NO2
MOLECULAR WEIGHT: 163.17326
SMILES: C1=CC(=CC(=C1)N)/C=C/C(=O)O
Structure:
CAS RN: 5648-64-6
CAS Name: (1S,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid
OPENEYE Name: (1S,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid
IUPAC Name: (1S,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid
SYSTEMATIC NAME: (1S,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid
MOLECULAR FORMULA: C10H16O4
MOLECULAR WEIGHT: 200.23164
SMILES: C[C@@]1(CC[C@@H](C1(C)C)C(=O)O)C(=O)O
Structure:
CAS RN: 4567-18-4
CAS Name: (2S)-3-oxo-2-phenylbutanenitrile
OPENEYE Name: (2S)-3-oxo-2-phenyl-butanenitrile
IUPAC Name: (2S)-3-oxo-2-phenylbutanenitrile
SYSTEMATIC NAME: (2S)-3-oxidanylidene-2-phenyl-butanenitrile
MOLECULAR FORMULA: C10H9NO
MOLECULAR WEIGHT: 159.18456
SMILES: CC(=O)[C@H](C#N)C1=CC=CC=C1
Structure:
CAS RN: 4468-48-8
CAS Name: (2S)-3-oxo-2-phenylbutanenitrile
OPENEYE Name: (2S)-3-oxo-2-phenyl-butanenitrile
IUPAC Name: (2S)-3-oxo-2-phenylbutanenitrile
SYSTEMATIC NAME: (2S)-3-oxidanylidene-2-phenyl-butanenitrile
MOLECULAR FORMULA: C10H9NO
MOLECULAR WEIGHT: 159.18456
SMILES: CC(=O)[C@H](C#N)C1=CC=CC=C1
Structure:
CAS RN: 4468-48-8
CAS Name: (2R)-3-oxo-2-phenylbutanenitrile
OPENEYE Name: (2R)-3-oxo-2-phenyl-butanenitrile
IUPAC Name: (2R)-3-oxo-2-phenylbutanenitrile
SYSTEMATIC NAME: (2R)-3-oxidanylidene-2-phenyl-butanenitrile
MOLECULAR FORMULA: C10H9NO
MOLECULAR WEIGHT: 159.18456
SMILES: CC(=O)[C@@H](C#N)C1=CC=CC=C1
Structure:
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