Thursday, November 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 2-[2-[2-[(2-chlorophenyl)methylene]hydrazino]-2-oxo-ethyl]sulfanyl-N-phenyl-acetamide
CAS Name: 2-[[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]thio]-N-phenylacetamide
IUPAC NAME: 2-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-N-phenylacetamide
SYSTEMATIC NAME: 2-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxidanylidene-ethyl]sulfanyl-N-phenyl-ethanamide
MOLECULAR FORMULA: C17H16ClN3O2S
MOLECULAR WEIGHT: 361.84584
SMILES: C1=CC=C(C=C1)NC(=O)CSCC(=O)NN=CC2=CC=CC=C2Cl
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Product OPENEYE NAME: 2-[2-oxo-2-[2-(2-thienylmethylene)hydrazino]ethyl]sulfanyl-N-phenyl-acetamide
CAS Name: 2-[[2-oxo-2-[2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]thio]-N-phenylacetamide
IUPAC NAME: 2-[2-oxo-2-[2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]sulfanyl-N-phenylacetamide
SYSTEMATIC NAME: 2-[2-oxidanylidene-2-[2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]sulfanyl-N-phenyl-ethanamide
MOLECULAR FORMULA: C15H15N3O2S2
MOLECULAR WEIGHT: 333.4285
SMILES: C1=CC=C(C=C1)NC(=O)CSCC(=O)NN=CC2=CC=CS2
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Product OPENEYE NAME: 3-(5-acetyl-2-thienyl)prop-2-ynyl 4-chlorobenzoate
CAS Name: 4-chlorobenzoic acid 3-(5-acetyl-2-thiophenyl)prop-2-ynyl ester
IUPAC NAME: 3-(5-acetylthiophen-2-yl)prop-2-ynyl 4-chlorobenzoate
SYSTEMATIC NAME: 3-(5-ethanoylthiophen-2-yl)prop-2-ynyl 4-chloranylbenzoate
MOLECULAR FORMULA: C16H11ClO3S
MOLECULAR WEIGHT: 318.77474
SMILES: CC(=O)C1=CC=C(S1)C#CCOC(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: phenyl-[3-[4-(2-phenylethynyl)phenyl]pyrazol-1-yl]methanone
CAS Name: phenyl-[3-[4-(2-phenylethynyl)phenyl]-1-pyrazolyl]methanone
IUPAC NAME: phenyl-[3-[4-(2-phenylethynyl)phenyl]pyrazol-1-yl]methanone
SYSTEMATIC NAME: phenyl-[3-[4-(2-phenylethynyl)phenyl]pyrazol-1-yl]methanone
MOLECULAR FORMULA: C24H16N2O
MOLECULAR WEIGHT: 348.39664
SMILES: C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3=NN(C=C3)C(=O)C4=CC=CC=C4
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Product OPENEYE NAME: 1-[3-[4-(2-phenylethynyl)phenyl]pyrazol-1-yl]ethanone
CAS Name: 1-[3-[4-(2-phenylethynyl)phenyl]-1-pyrazolyl]ethanone
IUPAC NAME: 1-[3-[4-(2-phenylethynyl)phenyl]pyrazol-1-yl]ethanone
SYSTEMATIC NAME: 1-[3-[4-(2-phenylethynyl)phenyl]pyrazol-1-yl]ethanone
MOLECULAR FORMULA: C19H14N2O
MOLECULAR WEIGHT: 286.32726
SMILES: CC(=O)N1C=CC(=N1)C2=CC=C(C=C2)C#CC3=CC=CC=C3
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Product OPENEYE NAME: 3-(5-acetyl-2-thienyl)prop-2-ynyl benzoate
CAS Name: benzoic acid 3-(5-acetyl-2-thiophenyl)prop-2-ynyl ester
IUPAC NAME: 3-(5-acetylthiophen-2-yl)prop-2-ynyl benzoate
SYSTEMATIC NAME: 3-(5-ethanoylthiophen-2-yl)prop-2-ynyl benzoate
MOLECULAR FORMULA: C16H12O3S
MOLECULAR WEIGHT: 284.32968
SMILES: CC(=O)C1=CC=C(S1)C#CCOC(=O)C2=CC=CC=C2
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Product OPENEYE NAME: 3-(5-acetyl-2-thienyl)prop-2-ynyl 4-(trifluoromethyl)benzoate
CAS Name: 4-(trifluoromethyl)benzoic acid 3-(5-acetyl-2-thiophenyl)prop-2-ynyl ester
IUPAC NAME: 3-(5-acetylthiophen-2-yl)prop-2-ynyl 4-(trifluoromethyl)benzoate
SYSTEMATIC NAME: 3-(5-ethanoylthiophen-2-yl)prop-2-ynyl 4-(trifluoromethyl)benzoate
MOLECULAR FORMULA: C17H11F3O3S
MOLECULAR WEIGHT: 352.32765
SMILES: CC(=O)C1=CC=C(S1)C#CCOC(=O)C2=CC=C(C=C2)C(F)(F)F
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Product OPENEYE NAME: 3-(5-acetyl-2-thienyl)prop-2-ynyl thiophene-2-carboxylate
CAS Name: 2-thiophenecarboxylic acid 3-(5-acetyl-2-thiophenyl)prop-2-ynyl ester
IUPAC NAME: 3-(5-acetylthiophen-2-yl)prop-2-ynyl thiophene-2-carboxylate
SYSTEMATIC NAME: 3-(5-ethanoylthiophen-2-yl)prop-2-ynyl thiophene-2-carboxylate
MOLECULAR FORMULA: C14H10O3S2
MOLECULAR WEIGHT: 290.3574
SMILES: CC(=O)C1=CC=C(S1)C#CCOC(=O)C2=CC=CS2
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Product OPENEYE NAME: [3-[4-(2-phenylethynyl)phenyl]pyrazol-1-yl]-(2-thienyl)methanone
CAS Name: [3-[4-(2-phenylethynyl)phenyl]-1-pyrazolyl]-thiophen-2-ylmethanone
IUPAC NAME: [3-[4-(2-phenylethynyl)phenyl]pyrazol-1-yl]-thiophen-2-ylmethanone
SYSTEMATIC NAME: [3-[4-(2-phenylethynyl)phenyl]pyrazol-1-yl]-thiophen-2-yl-methanone
MOLECULAR FORMULA: C22H14N2OS
MOLECULAR WEIGHT: 354.42436
SMILES: C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3=NN(C=C3)C(=O)C4=CC=CS4
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Product OPENEYE NAME: (E)-2-(4-chlorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)prop-2-enenitrile
CAS Name: (E)-2-(4-chlorophenyl)sulfonyl-3-(4-methyl-1-piperazinyl)-2-propenenitrile
IUPAC NAME: (E)-2-(4-chlorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)prop-2-enenitrile
SYSTEMATIC NAME: (E)-2-(4-chlorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)prop-2-enenitrile
MOLECULAR FORMULA: C14H16ClN3O2S
MOLECULAR WEIGHT: 325.81374
SMILES: CN1CCN(CC1)/C=C(\C#N)/S(=O)(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: (E)-3-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)sulfonyl-prop-2-enenitrile
CAS Name: (E)-2-(4-chlorophenyl)sulfonyl-3-[4-(phenylmethyl)-1-piperazinyl]-2-propenenitrile
IUPAC NAME: (E)-3-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)sulfonylprop-2-enenitrile
SYSTEMATIC NAME: (E)-2-(4-chlorophenyl)sulfonyl-3-[4-(phenylmethyl)piperazin-1-yl]prop-2-enenitrile
MOLECULAR FORMULA: C20H20ClN3O2S
MOLECULAR WEIGHT: 401.9097
SMILES: C1CN(CCN1CC2=CC=CC=C2)/C=C(\C#N)/S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: (E)-2-(4-chlorophenyl)sulfonyl-3-(4-phenylpiperazin-1-yl)prop-2-enenitrile
CAS Name: (E)-2-(4-chlorophenyl)sulfonyl-3-(4-phenyl-1-piperazinyl)-2-propenenitrile
IUPAC NAME: (E)-2-(4-chlorophenyl)sulfonyl-3-(4-phenylpiperazin-1-yl)prop-2-enenitrile
SYSTEMATIC NAME: (E)-2-(4-chlorophenyl)sulfonyl-3-(4-phenylpiperazin-1-yl)prop-2-enenitrile
MOLECULAR FORMULA: C19H18ClN3O2S
MOLECULAR WEIGHT: 387.88312
SMILES: C1CN(CCN1/C=C(\C#N)/S(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3
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Product OPENEYE NAME: 4-(3-cyanopyrazin-2-yl)-N-(3,5-dichlorophenyl)piperazine-1-carboxamide
CAS Name: 4-(3-cyano-2-pyrazinyl)-N-(3,5-dichlorophenyl)-1-piperazinecarboxamide
IUPAC NAME: 4-(3-cyanopyrazin-2-yl)-N-(3,5-dichlorophenyl)piperazine-1-carboxamide
SYSTEMATIC NAME: N-[3,5-bis(chloranyl)phenyl]-4-(3-cyanopyrazin-2-yl)piperazine-1-carboxamide
MOLECULAR FORMULA: C16H14Cl2N6O
MOLECULAR WEIGHT: 377.22796
SMILES: C1CN(CCN1C2=NC=CN=C2C#N)C(=O)NC3=CC(=CC(=C3)Cl)Cl
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Product OPENEYE NAME: 4-(3-cyanopyrazin-2-yl)-N-phenyl-piperazine-1-carboxamide
CAS Name: 4-(3-cyano-2-pyrazinyl)-N-phenyl-1-piperazinecarboxamide
IUPAC NAME: 4-(3-cyanopyrazin-2-yl)-N-phenylpiperazine-1-carboxamide
SYSTEMATIC NAME: 4-(3-cyanopyrazin-2-yl)-N-phenyl-piperazine-1-carboxamide
MOLECULAR FORMULA: C16H16N6O
MOLECULAR WEIGHT: 308.33784
SMILES: C1CN(CCN1C2=NC=CN=C2C#N)C(=O)NC3=CC=CC=C3
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Product OPENEYE NAME: N-(4-chlorophenyl)-4-(3-cyanopyrazin-2-yl)piperazine-1-carboxamide
CAS Name: N-(4-chlorophenyl)-4-(3-cyano-2-pyrazinyl)-1-piperazinecarboxamide
IUPAC NAME: N-(4-chlorophenyl)-4-(3-cyanopyrazin-2-yl)piperazine-1-carboxamide
SYSTEMATIC NAME: N-(4-chlorophenyl)-4-(3-cyanopyrazin-2-yl)piperazine-1-carboxamide
MOLECULAR FORMULA: C16H15ClN6O
MOLECULAR WEIGHT: 342.7829
SMILES: C1CN(CCN1C2=NC=CN=C2C#N)C(=O)NC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 4-(3-cyanopyrazin-2-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CAS Name: 4-(3-cyano-2-pyrazinyl)-N-[4-(trifluoromethoxy)phenyl]-1-piperazinecarboxamide
IUPAC NAME: 4-(3-cyanopyrazin-2-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
SYSTEMATIC NAME: 4-(3-cyanopyrazin-2-yl)-N-[4-(trifluoromethyloxy)phenyl]piperazine-1-carboxamide
MOLECULAR FORMULA: C17H15F3N6O2
MOLECULAR WEIGHT: 392.33521
SMILES: C1CN(CCN1C2=NC=CN=C2C#N)C(=O)NC3=CC=C(C=C3)OC(F)(F)F
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Product OPENEYE NAME: 2-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazino]ethyl]sulfanyl-N-phenyl-acetamide
CAS Name: 2-[[2-[[anilino(sulfanylidene)methyl]hydrazo]-2-oxoethyl]thio]-N-phenylacetamide
IUPAC NAME: 2-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethyl]sulfanyl-N-phenylacetamide
SYSTEMATIC NAME: 2-[2-oxidanylidene-2-[2-(phenylcarbamothioyl)hydrazinyl]ethyl]sulfanyl-N-phenyl-ethanamide
MOLECULAR FORMULA: C17H18N4O2S2
MOLECULAR WEIGHT: 374.48042
SMILES: C1=CC=C(C=C1)NC(=O)CSCC(=O)NNC(=S)NC2=CC=CC=C2
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Product OPENEYE NAME: 2-[2-[2-[(4-methoxyphenyl)carbamothioyl]hydrazino]-2-oxo-ethyl]sulfanyl-N-phenyl-acetamide
CAS Name: 2-[[2-[[(4-methoxyanilino)-sulfanylidenemethyl]hydrazo]-2-oxoethyl]thio]-N-phenylacetamide
IUPAC NAME: 2-[2-[2-[(4-methoxyphenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-phenylacetamide
SYSTEMATIC NAME: 2-[2-[2-[(4-methoxyphenyl)carbamothioyl]hydrazinyl]-2-oxidanylidene-ethyl]sulfanyl-N-phenyl-ethanamide
MOLECULAR FORMULA: C18H20N4O3S2
MOLECULAR WEIGHT: 404.5064
SMILES: COC1=CC=C(C=C1)NC(=S)NNC(=O)CSCC(=O)NC2=CC=CC=C2
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Product OPENEYE NAME: 2-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]carbamothioyl]hydrazino]ethyl]sulfanyl-N-phenyl-acetamide
CAS Name: 2-[[2-oxo-2-[[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]hydrazo]ethyl]thio]-N-phenylacetamide
IUPAC NAME: 2-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]carbamothioyl]hydrazinyl]ethyl]sulfanyl-N-phenylacetamide
SYSTEMATIC NAME: 2-[2-oxidanylidene-2-[2-[[3-(trifluoromethyl)phenyl]carbamothioyl]hydrazinyl]ethyl]sulfanyl-N-phenyl-ethanamide
MOLECULAR FORMULA: C18H17F3N4O2S2
MOLECULAR WEIGHT: 442.47839
SMILES: C1=CC=C(C=C1)NC(=O)CSCC(=O)NNC(=S)NC2=CC=CC(=C2)C(F)(F)F
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Product OPENEYE NAME: 2-amino-5-[[4-(trifluoromethoxy)phenyl]methyl]thiazol-4-one
CAS Name: 2-amino-5-[[4-(trifluoromethoxy)phenyl]methyl]-4-thiazolone
IUPAC NAME: 2-amino-5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-4-one
SYSTEMATIC NAME: 2-azanyl-5-[[4-(trifluoromethyloxy)phenyl]methyl]-1,3-thiazol-4-one
MOLECULAR FORMULA: C11H9F3N2O2S
MOLECULAR WEIGHT: 290.26157
SMILES: C1=CC(=CC=C1CC2C(=O)N=C(S2)N)OC(F)(F)F
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Product OPENEYE NAME: 2-[2-[2-(4-chlorobenzoyl)hydrazino]-2-oxo-ethyl]sulfanyl-N-phenyl-acetamide
CAS Name: 2-[[2-[[(4-chlorophenyl)-oxomethyl]hydrazo]-2-oxoethyl]thio]-N-phenylacetamide
IUPAC NAME: 2-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-phenylacetamide
SYSTEMATIC NAME: 2-[2-[2-(4-chlorophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl]sulfanyl-N-phenyl-ethanamide
MOLECULAR FORMULA: C17H16ClN3O3S
MOLECULAR WEIGHT: 377.84524
SMILES: C1=CC=C(C=C1)NC(=O)CSCC(=O)NNC(=O)C2=CC=C(C=C2)Cl
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