Sunday, November 25, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 5-[(4-chlorophenyl)methylsulfonyl]-2-pyrazin-2-yl-pyrimidin-4-amine
CAS Name: 5-[(4-chlorophenyl)methylsulfonyl]-2-(2-pyrazinyl)-4-pyrimidinamine
IUPAC NAME: 5-[(4-chlorophenyl)methylsulfonyl]-2-pyrazin-2-ylpyrimidin-4-amine
SYSTEMATIC NAME: 5-[(4-chlorophenyl)methylsulfonyl]-2-pyrazin-2-yl-pyrimidin-4-amine
MOLECULAR FORMULA: C15H12ClN5O2S
MOLECULAR WEIGHT: 361.80608
SMILES: C1=CC(=CC=C1CS(=O)(=O)C2=CN=C(N=C2N)C3=NC=CN=C3)Cl
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Product OPENEYE NAME: methyl (3Z)-3-[(4-chloroanilino)methylene]-1-methyl-2,2,4-trioxo-2$l^{6},1-benzothiazine-7-carboxylate
CAS Name: (3Z)-3-[(4-chloroanilino)methylidene]-1-methyl-2,2,4-trioxo-2$l^{6},1-benzothiazine-7-carboxylic acid methyl ester
IUPAC NAME: methyl (3Z)-3-[(4-chloroanilino)methylidene]-1-methyl-2,2,4-trioxo-2$l^{6},1-benzothiazine-7-carboxylate
SYSTEMATIC NAME: methyl (3Z)-3-[[(4-chlorophenyl)amino]methylidene]-1-methyl-2,2,4-tris(oxidanylidene)-2$l^{6},1-benzothiazine-7-carboxylate
MOLECULAR FORMULA: C18H15ClN2O5S
MOLECULAR WEIGHT: 406.8401
SMILES: CN1C2=C(C=CC(=C2)C(=O)OC)C(=O)/C(=C/NC3=CC=C(C=C3)Cl)/S1(=O)=O
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Product OPENEYE NAME: methyl (3Z)-3-[(4-methoxyanilino)methylene]-1-methyl-2,2,4-trioxo-2$l^{6},1-benzothiazine-7-carboxylate
CAS Name: (3Z)-3-[(4-methoxyanilino)methylidene]-1-methyl-2,2,4-trioxo-2$l^{6},1-benzothiazine-7-carboxylic acid methyl ester
IUPAC NAME: methyl (3Z)-3-[(4-methoxyanilino)methylidene]-1-methyl-2,2,4-trioxo-2$l^{6},1-benzothiazine-7-carboxylate
SYSTEMATIC NAME: methyl (3Z)-3-[[(4-methoxyphenyl)amino]methylidene]-1-methyl-2,2,4-tris(oxidanylidene)-2$l^{6},1-benzothiazine-7-carboxylate
MOLECULAR FORMULA: C19H18N2O6S
MOLECULAR WEIGHT: 402.42102
SMILES: CN1C2=C(C=CC(=C2)C(=O)OC)C(=O)/C(=C/NC3=CC=C(C=C3)OC)/S1(=O)=O
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Product OPENEYE NAME: 5-isopropylsulfonyl-2-pyrazin-2-yl-pyrimidin-4-amine
CAS Name: 5-propan-2-ylsulfonyl-2-(2-pyrazinyl)-4-pyrimidinamine
IUPAC NAME: 5-propan-2-ylsulfonyl-2-pyrazin-2-ylpyrimidin-4-amine
SYSTEMATIC NAME: 5-propan-2-ylsulfonyl-2-pyrazin-2-yl-pyrimidin-4-amine
MOLECULAR FORMULA: C11H13N5O2S
MOLECULAR WEIGHT: 279.31822
SMILES: CC(C)S(=O)(=O)C1=CN=C(N=C1N)C2=NC=CN=C2
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Product OPENEYE NAME: 5-tert-butylsulfonyl-2-pyrazin-2-yl-pyrimidin-4-amine
CAS Name: 5-tert-butylsulfonyl-2-(2-pyrazinyl)-4-pyrimidinamine
IUPAC NAME: 5-tert-butylsulfonyl-2-pyrazin-2-ylpyrimidin-4-amine
SYSTEMATIC NAME: 5-tert-butylsulfonyl-2-pyrazin-2-yl-pyrimidin-4-amine
MOLECULAR FORMULA: C12H15N5O2S
MOLECULAR WEIGHT: 293.3448
SMILES: CC(C)(C)S(=O)(=O)C1=CN=C(N=C1N)C2=NC=CN=C2
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Product OPENEYE NAME: 3-pyrazin-2-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CAS Name: 3-(2-pyrazinyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
IUPAC NAME: 3-pyrazin-2-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SYSTEMATIC NAME: 3-pyrazin-2-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
MOLECULAR FORMULA: C13H7F3N4O
MOLECULAR WEIGHT: 292.21609
SMILES: C1=CC(=CC(=C1)C(F)(F)F)C2=NC(=NO2)C3=NC=CN=C3
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Product OPENEYE NAME: (E)-3-(4-chloroanilino)-2-(3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carbonyl)prop-2-enenitrile
CAS Name: (E)-3-(4-chloroanilino)-2-[[3-(methylthio)-6,7-dihydro-2-benzothiophen-1-yl]-oxomethyl]-2-propenenitrile
IUPAC NAME: (E)-3-(4-chloroanilino)-2-(3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carbonyl)prop-2-enenitrile
SYSTEMATIC NAME: (E)-3-[(4-chlorophenyl)amino]-2-[(3-methylsulfanyl-6,7-dihydro-2-benzothiophen-1-yl)carbonyl]prop-2-enenitrile
MOLECULAR FORMULA: C19H15ClN2OS2
MOLECULAR WEIGHT: 386.9182
SMILES: CSC1=C2C=CCCC2=C(S1)C(=O)/C(=C/NC3=CC=C(C=C3)Cl)/C#N
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Product OPENEYE NAME: (E)-3-(2-chloroanilino)-2-(3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carbonyl)prop-2-enenitrile
CAS Name: (E)-3-(2-chloroanilino)-2-[[3-(methylthio)-6,7-dihydro-2-benzothiophen-1-yl]-oxomethyl]-2-propenenitrile
IUPAC NAME: (E)-3-(2-chloroanilino)-2-(3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carbonyl)prop-2-enenitrile
SYSTEMATIC NAME: (E)-3-[(2-chlorophenyl)amino]-2-[(3-methylsulfanyl-6,7-dihydro-2-benzothiophen-1-yl)carbonyl]prop-2-enenitrile
MOLECULAR FORMULA: C19H15ClN2OS2
MOLECULAR WEIGHT: 386.9182
SMILES: CSC1=C2C=CCCC2=C(S1)C(=O)/C(=C/NC3=CC=CC=C3Cl)/C#N
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Product OPENEYE NAME: (E)-3-(4-methoxyanilino)-2-(3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carbonyl)prop-2-enenitrile
CAS Name: (E)-3-(4-methoxyanilino)-2-[[3-(methylthio)-6,7-dihydro-2-benzothiophen-1-yl]-oxomethyl]-2-propenenitrile
IUPAC NAME: (E)-3-(4-methoxyanilino)-2-(3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carbonyl)prop-2-enenitrile
SYSTEMATIC NAME: (E)-3-[(4-methoxyphenyl)amino]-2-[(3-methylsulfanyl-6,7-dihydro-2-benzothiophen-1-yl)carbonyl]prop-2-enenitrile
MOLECULAR FORMULA: C20H18N2O2S2
MOLECULAR WEIGHT: 382.49912
SMILES: COC1=CC=C(C=C1)N/C=C(\C#N)/C(=O)C2=C3CCC=CC3=C(S2)SC
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Product OPENEYE NAME: 5-(4-chlorophenyl)sulfonyl-4-methyl-2-pyrazin-2-yl-pyrimidine
CAS Name: 5-(4-chlorophenyl)sulfonyl-4-methyl-2-(2-pyrazinyl)pyrimidine
IUPAC NAME: 5-(4-chlorophenyl)sulfonyl-4-methyl-2-pyrazin-2-ylpyrimidine
SYSTEMATIC NAME: 5-(4-chlorophenyl)sulfonyl-4-methyl-2-pyrazin-2-yl-pyrimidine
MOLECULAR FORMULA: C15H11ClN4O2S
MOLECULAR WEIGHT: 346.79144
SMILES: CC1=NC(=NC=C1S(=O)(=O)C2=CC=C(C=C2)Cl)C3=NC=CN=C3
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Product OPENEYE NAME: methyl 3-aminothieno[2,3-b]pyridine-2-carboxylate
CAS Name: 3-amino-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester
IUPAC NAME: methyl 3-aminothieno[2,3-b]pyridine-2-carboxylate
SYSTEMATIC NAME: methyl 3-azanylthieno[2,3-b]pyridine-2-carboxylate
MOLECULAR FORMULA: C9H8N2O2S
MOLECULAR WEIGHT: 208.23702
SMILES: COC(=O)C1=C(C2=C(S1)N=CC=C2)N
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Product OPENEYE NAME: 2-(3-methylsulfanyl-6,7-dihydro-2-benzothiophen-1-yl)-2-oxo-N-[3-(trifluoromethyl)anilino]acetimidoyl cyanide
CAS Name: 3-[3-(methylthio)-6,7-dihydro-2-benzothiophen-1-yl]-3-oxo-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]propanenitrile
IUPAC NAME: 2-(3-methylsulfanyl-6,7-dihydro-2-benzothiophen-1-yl)-2-oxo-N-[3-(trifluoromethyl)anilino]ethanimidoyl cyanide
SYSTEMATIC NAME: 3-(3-methylsulfanyl-6,7-dihydro-2-benzothiophen-1-yl)-3-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]propanenitrile
MOLECULAR FORMULA: C19H14F3N3OS2
MOLECULAR WEIGHT: 421.45917
SMILES: CSC1=C2C=CCCC2=C(S1)C(=O)C(=NNC3=CC=CC(=C3)C(F)(F)F)C#N
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Product OPENEYE NAME: N-(4-chloroanilino)-2-(3-methylsulfanyl-6,7-dihydro-2-benzothiophen-1-yl)-2-oxo-acetimidoyl cyanide
CAS Name: 2-[(4-chlorophenyl)hydrazinylidene]-3-[3-(methylthio)-6,7-dihydro-2-benzothiophen-1-yl]-3-oxopropanenitrile
IUPAC NAME: N-(4-chloroanilino)-2-(3-methylsulfanyl-6,7-dihydro-2-benzothiophen-1-yl)-2-oxoethanimidoyl cyanide
SYSTEMATIC NAME: 2-[(4-chlorophenyl)hydrazinylidene]-3-(3-methylsulfanyl-6,7-dihydro-2-benzothiophen-1-yl)-3-oxidanylidene-propanenitrile
MOLECULAR FORMULA: C18H14ClN3OS2
MOLECULAR WEIGHT: 387.90626
SMILES: CSC1=C2C=CCCC2=C(S1)C(=O)C(=NNC3=CC=C(C=C3)Cl)C#N
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Product OPENEYE NAME: N-(2-chloroanilino)-2-(3-methylsulfanyl-6,7-dihydro-2-benzothiophen-1-yl)-2-oxo-acetimidoyl cyanide
CAS Name: 2-[(2-chlorophenyl)hydrazinylidene]-3-[3-(methylthio)-6,7-dihydro-2-benzothiophen-1-yl]-3-oxopropanenitrile
IUPAC NAME: N-(2-chloroanilino)-2-(3-methylsulfanyl-6,7-dihydro-2-benzothiophen-1-yl)-2-oxoethanimidoyl cyanide
SYSTEMATIC NAME: 2-[(2-chlorophenyl)hydrazinylidene]-3-(3-methylsulfanyl-6,7-dihydro-2-benzothiophen-1-yl)-3-oxidanylidene-propanenitrile
MOLECULAR FORMULA: C18H14ClN3OS2
MOLECULAR WEIGHT: 387.90626
SMILES: CSC1=C2C=CCCC2=C(S1)C(=O)C(=NNC3=CC=CC=C3Cl)C#N
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Product OPENEYE NAME: 1-chloro-3-methylsulfonyl-6,7-dihydro-5H-2-benzothiophen-4-one
CAS Name: 1-chloro-3-methylsulfonyl-6,7-dihydro-5H-2-benzothiophen-4-one
IUPAC NAME: 1-chloro-3-methylsulfonyl-6,7-dihydro-5H-2-benzothiophen-4-one
SYSTEMATIC NAME: 1-chloranyl-3-methylsulfonyl-6,7-dihydro-5H-2-benzothiophen-4-one
MOLECULAR FORMULA: C9H9ClO3S2
MOLECULAR WEIGHT: 264.74896
SMILES: CS(=O)(=O)C1=C2C(=C(S1)Cl)CCCC2=O
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Product OPENEYE NAME: 1-chloro-3-methylsulfinyl-6,7-dihydro-5H-2-benzothiophen-4-one
CAS Name: 1-chloro-3-methylsulfinyl-6,7-dihydro-5H-2-benzothiophen-4-one
IUPAC NAME: 1-chloro-3-methylsulfinyl-6,7-dihydro-5H-2-benzothiophen-4-one
SYSTEMATIC NAME: 1-chloranyl-3-methylsulfinyl-6,7-dihydro-5H-2-benzothiophen-4-one
MOLECULAR FORMULA: C9H9ClO2S2
MOLECULAR WEIGHT: 248.74956
SMILES: CS(=O)C1=C2C(=C(S1)Cl)CCCC2=O
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Product OPENEYE NAME: 2-[5-(4-chlorophenyl)sulfinyl-2-thienyl]pyridine
CAS Name: 2-[5-(4-chlorophenyl)sulfinyl-2-thiophenyl]pyridine
IUPAC NAME: 2-[5-(4-chlorophenyl)sulfinylthiophen-2-yl]pyridine
SYSTEMATIC NAME: 2-[5-(4-chlorophenyl)sulfinylthiophen-2-yl]pyridine
MOLECULAR FORMULA: C15H10ClNOS2
MOLECULAR WEIGHT: 319.829
SMILES: C1=CC=NC(=C1)C2=CC=C(S2)S(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 2-[5-(3-chlorophenyl)sulfanyl-2-thienyl]pyridine
CAS Name: 2-[5-[(3-chlorophenyl)thio]-2-thiophenyl]pyridine
IUPAC NAME: 2-[5-(3-chlorophenyl)sulfanylthiophen-2-yl]pyridine
SYSTEMATIC NAME: 2-[5-(3-chlorophenyl)sulfanylthiophen-2-yl]pyridine
MOLECULAR FORMULA: C15H10ClNS2
MOLECULAR WEIGHT: 303.8296
SMILES: C1=CC=NC(=C1)C2=CC=C(S2)SC3=CC(=CC=C3)Cl
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