Thursday, November 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME: S-[5-(trifluoromethyl)-2-pyridyl] 5-(2-phenylethynyl)pyridine-3-carbothioate
CAS Name: 5-(2-phenylethynyl)-3-pyridinecarbothioic acid S-[5-(trifluoromethyl)-2-pyridinyl] ester
IUPAC NAME: S-[5-(trifluoromethyl)pyridin-2-yl] 5-(2-phenylethynyl)pyridine-3-carbothioate
SYSTEMATIC NAME: S-[5-(trifluoromethyl)pyridin-2-yl] 5-(2-phenylethynyl)pyridine-3-carbothioate
MOLECULAR FORMULA: C20H11F3N2OS
MOLECULAR WEIGHT: 384.37435
SMILES: C1=CC=C(C=C1)C#CC2=CC(=CN=C2)C(=O)SC3=NC=C(C=C3)C(F)(F)F
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Product OPENEYE NAME: S-(2-thienyl) 5-(2-phenylethynyl)pyridine-3-carbothioate
CAS Name: 5-(2-phenylethynyl)-3-pyridinecarbothioic acid S-thiophen-2-yl ester
IUPAC NAME: S-thiophen-2-yl 5-(2-phenylethynyl)pyridine-3-carbothioate
SYSTEMATIC NAME: S-thiophen-2-yl 5-(2-phenylethynyl)pyridine-3-carbothioate
MOLECULAR FORMULA: C18H11NOS2
MOLECULAR WEIGHT: 321.41604
SMILES: C1=CC=C(C=C1)C#CC2=CC(=CN=C2)C(=O)SC3=CC=CS3
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Product OPENEYE NAME: N-(3-chloro-4-fluoro-phenyl)-2-[[4-methyl-5-[5-(2-phenylethynyl)-3-pyridyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CAS Name: N-(3-chloro-4-fluorophenyl)-2-[[4-methyl-5-[5-(2-phenylethynyl)-3-pyridinyl]-1,2,4-triazol-3-yl]thio]acetamide
IUPAC NAME: N-(3-chloro-4-fluorophenyl)-2-[[4-methyl-5-[5-(2-phenylethynyl)pyridin-3-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
SYSTEMATIC NAME: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[[4-methyl-5-[5-(2-phenylethynyl)pyridin-3-yl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C24H17ClFN5OS
MOLECULAR WEIGHT: 477.941083
SMILES: CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)F)Cl)C3=CN=CC(=C3)C#CC4=CC=CC=C4
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Product OPENEYE NAME: 2-[[4-methyl-5-[5-(2-phenylethynyl)-3-pyridyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CAS Name: 2-[[4-methyl-5-[5-(2-phenylethynyl)-3-pyridinyl]-1,2,4-triazol-3-yl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide
IUPAC NAME: 2-[[4-methyl-5-[5-(2-phenylethynyl)pyridin-3-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SYSTEMATIC NAME: 2-[[4-methyl-5-[5-(2-phenylethynyl)pyridin-3-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]ethanamide
MOLECULAR FORMULA: C25H18F3N5OS
MOLECULAR WEIGHT: 493.50353
SMILES: CN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)C3=CN=CC(=C3)C#CC4=CC=CC=C4
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Product OPENEYE NAME: 1-(3-chlorophenyl)-4-[3-(4-chlorophenyl)sulfanylpropyl]piperazine
CAS Name: 1-(3-chlorophenyl)-4-[3-[(4-chlorophenyl)thio]propyl]piperazine
IUPAC NAME: 1-(3-chlorophenyl)-4-[3-(4-chlorophenyl)sulfanylpropyl]piperazine
SYSTEMATIC NAME: 1-(3-chlorophenyl)-4-[3-(4-chlorophenyl)sulfanylpropyl]piperazine
MOLECULAR FORMULA: C19H22Cl2N2S
MOLECULAR WEIGHT: 381.36238
SMILES: C1CN(CCN1CCCSC2=CC=C(C=C2)Cl)C3=CC(=CC=C3)Cl
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Product OPENEYE NAME: 3-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-5-(2-phenylethynyl)pyridine
CAS Name: 3-[5-[(3,4-dichlorophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]-5-(2-phenylethynyl)pyridine
IUPAC NAME: 3-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-5-(2-phenylethynyl)pyridine
SYSTEMATIC NAME: 3-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-5-(2-phenylethynyl)pyridine
MOLECULAR FORMULA: C23H16Cl2N4S
MOLECULAR WEIGHT: 451.37094
SMILES: CN1C(=NN=C1SCC2=CC(=C(C=C2)Cl)Cl)C3=CN=CC(=C3)C#CC4=CC=CC=C4
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Product OPENEYE NAME: 3-[5-[(2-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-5-(2-phenylethynyl)pyridine
CAS Name: 3-[5-[(2-chlorophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]-5-(2-phenylethynyl)pyridine
IUPAC NAME: 3-[5-[(2-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-5-(2-phenylethynyl)pyridine
SYSTEMATIC NAME: 3-[5-[(2-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-5-(2-phenylethynyl)pyridine
MOLECULAR FORMULA: C23H17ClN4S
MOLECULAR WEIGHT: 416.92588
SMILES: CN1C(=NN=C1SCC2=CC=CC=C2Cl)C3=CN=CC(=C3)C#CC4=CC=CC=C4
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Product OPENEYE NAME: 1-(3-chlorophenyl)-4-[3-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]propyl]piperazine
CAS Name: 1-(3-chlorophenyl)-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]thio]propyl]piperazine
IUPAC NAME: 1-(3-chlorophenyl)-4-[3-[5-(trifluoromethyl)pyridin-2-yl]sulfanylpropyl]piperazine
SYSTEMATIC NAME: 1-(3-chlorophenyl)-4-[3-[5-(trifluoromethyl)pyridin-2-yl]sulfanylpropyl]piperazine
MOLECULAR FORMULA: C19H21ClF3N3S
MOLECULAR WEIGHT: 415.90335
SMILES: C1CN(CCN1CCCSC2=NC=C(C=C2)C(F)(F)F)C3=CC(=CC=C3)Cl
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Product OPENEYE NAME: (E)-3-[(1-benzyl-4-piperidyl)amino]-2-(4-chlorophenyl)sulfonyl-prop-2-enenitrile
CAS Name: (E)-2-(4-chlorophenyl)sulfonyl-3-[[1-(phenylmethyl)-4-piperidinyl]amino]-2-propenenitrile
IUPAC NAME: (E)-3-[(1-benzylpiperidin-4-yl)amino]-2-(4-chlorophenyl)sulfonylprop-2-enenitrile
SYSTEMATIC NAME: (E)-2-(4-chlorophenyl)sulfonyl-3-[[1-(phenylmethyl)piperidin-4-yl]amino]prop-2-enenitrile
MOLECULAR FORMULA: C21H22ClN3O2S
MOLECULAR WEIGHT: 415.93628
SMILES: C1CN(CCC1N/C=C(\C#N)/S(=O)(=O)C2=CC=C(C=C2)Cl)CC3=CC=CC=C3
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Product OPENEYE NAME: (E)-3-[(1-benzyl-4-piperidyl)amino]-2-(2-pyridylsulfonyl)prop-2-enenitrile
CAS Name: (E)-3-[[1-(phenylmethyl)-4-piperidinyl]amino]-2-(2-pyridinylsulfonyl)-2-propenenitrile
IUPAC NAME: (E)-3-[(1-benzylpiperidin-4-yl)amino]-2-pyridin-2-ylsulfonylprop-2-enenitrile
SYSTEMATIC NAME: (E)-3-[[1-(phenylmethyl)piperidin-4-yl]amino]-2-pyridin-2-ylsulfonyl-prop-2-enenitrile
MOLECULAR FORMULA: C20H22N4O2S
MOLECULAR WEIGHT: 382.47928
SMILES: C1CN(CCC1N/C=C(\C#N)/S(=O)(=O)C2=CC=CC=N2)CC3=CC=CC=C3
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Product OPENEYE NAME: 6-[(4-chlorophenyl)sulfanylmethyl]-2-(trifluoromethyl)quinoline
CAS Name: 6-[[(4-chlorophenyl)thio]methyl]-2-(trifluoromethyl)quinoline
IUPAC NAME: 6-[(4-chlorophenyl)sulfanylmethyl]-2-(trifluoromethyl)quinoline
SYSTEMATIC NAME: 6-[(4-chlorophenyl)sulfanylmethyl]-2-(trifluoromethyl)quinoline
MOLECULAR FORMULA: C17H11ClF3NS
MOLECULAR WEIGHT: 353.78915
SMILES: C1=CC(=CC=C1SCC2=CC3=C(C=C2)N=C(C=C3)C(F)(F)F)Cl
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Product OPENEYE NAME: 6-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(trifluoromethyl)quinoline
CAS Name: 6-[[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]-2-(trifluoromethyl)quinoline
IUPAC NAME: 6-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(trifluoromethyl)quinoline
SYSTEMATIC NAME: 6-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(trifluoromethyl)quinoline
MOLECULAR FORMULA: C15H10F6N4S
MOLECULAR WEIGHT: 392.322119
SMILES: CN1C(=NN=C1SCC2=CC3=C(C=C2)N=C(C=C3)C(F)(F)F)C(F)(F)F
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Product OPENEYE NAME: (3-phenoxy-2-thienyl)methanol
CAS Name: (3-phenoxy-2-thiophenyl)methanol
IUPAC NAME: (3-phenoxythiophen-2-yl)methanol
SYSTEMATIC NAME: (3-phenoxythiophen-2-yl)methanol
MOLECULAR FORMULA: C11H10O2S
MOLECULAR WEIGHT: 206.2609
SMILES: C1=CC=C(C=C1)OC2=C(SC=C2)CO
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Product OPENEYE NAME: 2-[[2-(trifluoromethyl)-6-quinolyl]methylsulfanyl]ethyl N-(3,5-dichlorophenyl)carbamate
CAS Name: N-(3,5-dichlorophenyl)carbamic acid 2-[[2-(trifluoromethyl)-6-quinolinyl]methylthio]ethyl ester
IUPAC NAME: 2-[[2-(trifluoromethyl)quinolin-6-yl]methylsulfanyl]ethyl N-(3,5-dichlorophenyl)carbamate
SYSTEMATIC NAME: 2-[[2-(trifluoromethyl)quinolin-6-yl]methylsulfanyl]ethyl N-[3,5-bis(chloranyl)phenyl]carbamate
MOLECULAR FORMULA: C20H15Cl2F3N2O2S
MOLECULAR WEIGHT: 475.31151
SMILES: C1=CC2=C(C=CC(=N2)C(F)(F)F)C=C1CSCCOC(=O)NC3=CC(=CC(=C3)Cl)Cl
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Product OPENEYE NAME: 2-[[2-(trifluoromethyl)-6-quinolyl]methylsulfanyl]ethyl N-(4-chlorophenyl)carbamate
CAS Name: N-(4-chlorophenyl)carbamic acid 2-[[2-(trifluoromethyl)-6-quinolinyl]methylthio]ethyl ester
IUPAC NAME: 2-[[2-(trifluoromethyl)quinolin-6-yl]methylsulfanyl]ethyl N-(4-chlorophenyl)carbamate
SYSTEMATIC NAME: 2-[[2-(trifluoromethyl)quinolin-6-yl]methylsulfanyl]ethyl N-(4-chlorophenyl)carbamate
MOLECULAR FORMULA: C20H16ClF3N2O2S
MOLECULAR WEIGHT: 440.86645
SMILES: C1=CC(=CC=C1NC(=O)OCCSCC2=CC3=C(C=C2)N=C(C=C3)C(F)(F)F)Cl
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Product OPENEYE NAME: 2-[[2-(trifluoromethyl)-6-quinolyl]methylsulfanyl]ethyl N-phenylcarbamate
CAS Name: N-phenylcarbamic acid 2-[[2-(trifluoromethyl)-6-quinolinyl]methylthio]ethyl ester
IUPAC NAME: 2-[[2-(trifluoromethyl)quinolin-6-yl]methylsulfanyl]ethyl N-phenylcarbamate
SYSTEMATIC NAME: 2-[[2-(trifluoromethyl)quinolin-6-yl]methylsulfanyl]ethyl N-phenylcarbamate
MOLECULAR FORMULA: C20H17F3N2O2S
MOLECULAR WEIGHT: 406.42139
SMILES: C1=CC=C(C=C1)NC(=O)OCCSCC2=CC3=C(C=C2)N=C(C=C3)C(F)(F)F
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Product OPENEYE NAME: 2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone hydrochloride
CAS Name: 2,3-dihydro-1,4-benzodioxin-3-yl(1-piperazinyl)methanone hydrochloride
IUPAC NAME: 2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone hydrochloride
SYSTEMATIC NAME: 2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone hydrochloride
MOLECULAR FORMULA: C13H17ClN2O3
MOLECULAR WEIGHT: 284.73868
SMILES: C1CN(CCN1)C(=O)C2COC3=CC=CC=C3O2.Cl
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Product OPENEYE NAME: 3-(4-chlorophenyl)-2-(4-fluorophenyl)sulfonyl-prop-2-enenitrile
CAS Name: 3-(4-chlorophenyl)-2-(4-fluorophenyl)sulfonyl-2-propenenitrile
IUPAC NAME: 3-(4-chlorophenyl)-2-(4-fluorophenyl)sulfonylprop-2-enenitrile
SYSTEMATIC NAME: 3-(4-chlorophenyl)-2-(4-fluorophenyl)sulfonyl-prop-2-enenitrile
MOLECULAR FORMULA: C15H9ClFNO2S
MOLECULAR WEIGHT: 321.753863
SMILES: C1=CC(=CC=C1C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)F)Cl
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