Saturday, November 24, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 1-[2-[(2,6-dichlorophenyl)methylsulfanyl]pyrimidin-4-yl]-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one
CAS Name: 1-[2-[(2,6-dichlorophenyl)methylthio]-4-pyrimidinyl]-3-(methylthio)-6,7-dihydro-5H-2-benzothiophen-4-one
IUPAC NAME: 1-[2-[(2,6-dichlorophenyl)methylsulfanyl]pyrimidin-4-yl]-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one
SYSTEMATIC NAME: 1-[2-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]pyrimidin-4-yl]-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one
MOLECULAR FORMULA: C20H16Cl2N2OS3
MOLECULAR WEIGHT: 467.45484
SMILES: CSC1=C2C(=C(S1)C3=NC(=NC=C3)SCC4=C(C=CC=C4Cl)Cl)CCCC2=O
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Product OPENEYE NAME: 6-[(4-chlorophenyl)methylsulfanyl]-2,2-dimethyl-3H-thiopyran-4-one
CAS Name: 6-[(4-chlorophenyl)methylthio]-2,2-dimethyl-3H-thiopyran-4-one
IUPAC NAME: 6-[(4-chlorophenyl)methylsulfanyl]-2,2-dimethyl-3H-thiopyran-4-one
SYSTEMATIC NAME: 6-[(4-chlorophenyl)methylsulfanyl]-2,2-dimethyl-3H-thiopyran-4-one
MOLECULAR FORMULA: C14H15ClOS2
MOLECULAR WEIGHT: 298.8513
SMILES: CC1(CC(=O)C=C(S1)SCC2=CC=C(C=C2)Cl)C
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Product OPENEYE NAME: 6-amino-2,4-diphenyl-5-propylsulfonyl-4H-pyran-3-carbonitrile
CAS Name: 6-amino-2,4-diphenyl-5-propylsulfonyl-4H-pyran-3-carbonitrile
IUPAC NAME: 6-amino-2,4-diphenyl-5-propylsulfonyl-4H-pyran-3-carbonitrile
SYSTEMATIC NAME: 6-azanyl-2,4-diphenyl-5-propylsulfonyl-4H-pyran-3-carbonitrile
MOLECULAR FORMULA: C21H20N2O3S
MOLECULAR WEIGHT: 380.4601
SMILES: CCCS(=O)(=O)C1=C(OC(=C(C1C2=CC=CC=C2)C#N)C3=CC=CC=C3)N
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Product OPENEYE NAME: (4-chlorophenyl)-[3-(4-methoxyimino-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-1-yl)pyrazol-1-yl]methanone
CAS Name: (4-chlorophenyl)-[3-[4-methoxyimino-6,6-dimethyl-3-(methylthio)-5,7-dihydro-2-benzothiophen-1-yl]-1-pyrazolyl]methanone
IUPAC NAME: (4-chlorophenyl)-[3-(4-methoxyimino-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-1-yl)pyrazol-1-yl]methanone
SYSTEMATIC NAME: (4-chlorophenyl)-[3-(4-methoxyimino-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-1-yl)pyrazol-1-yl]methanone
MOLECULAR FORMULA: C22H22ClN3O2S2
MOLECULAR WEIGHT: 460.01198
SMILES: CC1(CC2=C(SC(=C2C(=NOC)C1)SC)C3=NN(C=C3)C(=O)C4=CC=C(C=C4)Cl)C
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Product OPENEYE NAME: 5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide
CAS Name: 5-[2-methyl-5-(trifluoromethyl)-3-pyrazolyl]-2-thiophenesulfonamide
IUPAC NAME: 5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide
SYSTEMATIC NAME: 5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide
MOLECULAR FORMULA: C9H8F3N3O2S2
MOLECULAR WEIGHT: 311.30393
SMILES: CN1C(=CC(=N1)C(F)(F)F)C2=CC=C(S2)S(=O)(=O)N
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Product OPENEYE NAME: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(2,2-dimethyl-4-oxo-3H-thiopyran-6-yl)sulfanyl]acetamide
CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(2,2-dimethyl-4-oxo-3H-thiopyran-6-yl)thio]acetamide
IUPAC NAME: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(2,2-dimethyl-4-oxo-3H-thiopyran-6-yl)sulfanyl]acetamide
SYSTEMATIC NAME: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(2,2-dimethyl-4-oxidanylidene-3H-thiopyran-6-yl)sulfanyl]ethanamide
MOLECULAR FORMULA: C17H15F6NO2S2
MOLECULAR WEIGHT: 443.426919
SMILES: CC1(CC(=O)C=C(S1)SCC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C
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Product OPENEYE NAME: N-(4-chlorophenyl)-2-[(2,2-dimethyl-4-oxo-3H-thiopyran-6-yl)sulfanyl]acetamide
CAS Name: N-(4-chlorophenyl)-2-[(2,2-dimethyl-4-oxo-3H-thiopyran-6-yl)thio]acetamide
IUPAC NAME: N-(4-chlorophenyl)-2-[(2,2-dimethyl-4-oxo-3H-thiopyran-6-yl)sulfanyl]acetamide
SYSTEMATIC NAME: N-(4-chlorophenyl)-2-[(2,2-dimethyl-4-oxidanylidene-3H-thiopyran-6-yl)sulfanyl]ethanamide
MOLECULAR FORMULA: C15H16ClNO2S2
MOLECULAR WEIGHT: 341.87604
SMILES: CC1(CC(=O)C=C(S1)SCC(=O)NC2=CC=C(C=C2)Cl)C
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Product OPENEYE NAME: 6-[(2,6-dichlorophenyl)methylsulfanyl]-2,2-dimethyl-3H-thiopyran-4-one
CAS Name: 6-[(2,6-dichlorophenyl)methylthio]-2,2-dimethyl-3H-thiopyran-4-one
IUPAC NAME: 6-[(2,6-dichlorophenyl)methylsulfanyl]-2,2-dimethyl-3H-thiopyran-4-one
SYSTEMATIC NAME: 6-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-2,2-dimethyl-3H-thiopyran-4-one
MOLECULAR FORMULA: C14H14Cl2OS2
MOLECULAR WEIGHT: 333.29636
SMILES: CC1(CC(=O)C=C(S1)SCC2=C(C=CC=C2Cl)Cl)C
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Product OPENEYE NAME: 5-methyl-N-(2-oxotetrahydrothiophen-3-yl)-3-phenyl-isoxazole-4-carboxamide
CAS Name: 5-methyl-N-(2-oxo-3-thiolanyl)-3-phenyl-4-isoxazolecarboxamide
IUPAC NAME: 5-methyl-N-(2-oxothiolan-3-yl)-3-phenyl-1,2-oxazole-4-carboxamide
SYSTEMATIC NAME: 5-methyl-N-(2-oxidanylidenethiolan-3-yl)-3-phenyl-1,2-oxazole-4-carboxamide
MOLECULAR FORMULA: C15H14N2O3S
MOLECULAR WEIGHT: 302.34826
SMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3CCSC3=O
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Product OPENEYE NAME: 3-(2-chloro-6-fluoro-phenyl)-5-methyl-N-(2-oxotetrahydrothiophen-3-yl)isoxazole-4-carboxamide
CAS Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-oxo-3-thiolanyl)-4-isoxazolecarboxamide
IUPAC NAME: 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-oxothiolan-3-yl)-1,2-oxazole-4-carboxamide
SYSTEMATIC NAME: 3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-N-(2-oxidanylidenethiolan-3-yl)-1,2-oxazole-4-carboxamide
MOLECULAR FORMULA: C15H12ClFN2O3S
MOLECULAR WEIGHT: 354.783783
SMILES: CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3CCSC3=O
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Product OPENEYE NAME: ethyl 4-isopropylsulfonyl-5-methylsulfanyl-thiophene-2-carboxylate
CAS Name: 5-(methylthio)-4-propan-2-ylsulfonyl-2-thiophenecarboxylic acid ethyl ester
IUPAC NAME: ethyl 5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylate
SYSTEMATIC NAME: ethyl 5-methylsulfanyl-4-propan-2-ylsulfonyl-thiophene-2-carboxylate
MOLECULAR FORMULA: C11H16O4S3
MOLECULAR WEIGHT: 308.43734
SMILES: CCOC(=O)C1=CC(=C(S1)SC)S(=O)(=O)C(C)C
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Product OPENEYE NAME: N-(2-chlorophenyl)-2-[(2,2-dimethyl-4-oxo-3H-thiopyran-6-yl)sulfanyl]acetamide
CAS Name: N-(2-chlorophenyl)-2-[(2,2-dimethyl-4-oxo-3H-thiopyran-6-yl)thio]acetamide
IUPAC NAME: N-(2-chlorophenyl)-2-[(2,2-dimethyl-4-oxo-3H-thiopyran-6-yl)sulfanyl]acetamide
SYSTEMATIC NAME: N-(2-chlorophenyl)-2-[(2,2-dimethyl-4-oxidanylidene-3H-thiopyran-6-yl)sulfanyl]ethanamide
MOLECULAR FORMULA: C15H16ClNO2S2
MOLECULAR WEIGHT: 341.87604
SMILES: CC1(CC(=O)C=C(S1)SCC(=O)NC2=CC=CC=C2Cl)C
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Product OPENEYE NAME: 2,2-dimethyl-6-[2-(p-tolylsulfonyl)ethylsulfanyl]-3H-thiopyran-4-one
CAS Name: 2,2-dimethyl-6-[2-(4-methylphenyl)sulfonylethylthio]-3H-thiopyran-4-one
IUPAC NAME: 2,2-dimethyl-6-[2-(4-methylphenyl)sulfonylethylsulfanyl]-3H-thiopyran-4-one
SYSTEMATIC NAME: 2,2-dimethyl-6-[2-(4-methylphenyl)sulfonylethylsulfanyl]-3H-thiopyran-4-one
MOLECULAR FORMULA: C16H20O3S3
MOLECULAR WEIGHT: 356.5232
SMILES: CC1=CC=C(C=C1)S(=O)(=O)CCSC2=CC(=O)CC(S2)(C)C
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Product OPENEYE NAME: 6-[2-(benzenesulfonyl)ethylsulfanyl]-2,2-dimethyl-3H-thiopyran-4-one
CAS Name: 6-[2-(benzenesulfonyl)ethylthio]-2,2-dimethyl-3H-thiopyran-4-one
IUPAC NAME: 6-[2-(benzenesulfonyl)ethylsulfanyl]-2,2-dimethyl-3H-thiopyran-4-one
SYSTEMATIC NAME: 2,2-dimethyl-6-[2-(phenylsulfonyl)ethylsulfanyl]-3H-thiopyran-4-one
MOLECULAR FORMULA: C15H18O3S3
MOLECULAR WEIGHT: 342.49662
SMILES: CC1(CC(=O)C=C(S1)SCCS(=O)(=O)C2=CC=CC=C2)C
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Product OPENEYE NAME: 6-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-2,2-dimethyl-3H-thiopyran-4-one
CAS Name: 6-[2-(4-chlorophenyl)sulfonylethylthio]-2,2-dimethyl-3H-thiopyran-4-one
IUPAC NAME: 6-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-2,2-dimethyl-3H-thiopyran-4-one
SYSTEMATIC NAME: 6-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-2,2-dimethyl-3H-thiopyran-4-one
MOLECULAR FORMULA: C15H17ClO3S3
MOLECULAR WEIGHT: 376.94168
SMILES: CC1(CC(=O)C=C(S1)SCCS(=O)(=O)C2=CC=C(C=C2)Cl)C
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Product OPENEYE NAME: 2-[(2,2-dimethyl-4-oxo-3H-thiopyran-6-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CAS Name: 2-[(2,2-dimethyl-4-oxo-3H-thiopyran-6-yl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide
IUPAC NAME: 2-[(2,2-dimethyl-4-oxo-3H-thiopyran-6-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SYSTEMATIC NAME: 2-[(2,2-dimethyl-4-oxidanylidene-3H-thiopyran-6-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]ethanamide
MOLECULAR FORMULA: C16H16F3NO2S2
MOLECULAR WEIGHT: 375.42895
SMILES: CC1(CC(=O)C=C(S1)SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)C
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Product OPENEYE NAME: 4-chloro-N'-(1,3,4-trimethylpyrazolo[3,4-b]pyridin-6-yl)benzohydrazide
CAS Name: 4-chloro-N'-(1,3,4-trimethyl-6-pyrazolo[3,4-b]pyridinyl)benzohydrazide
IUPAC NAME: 4-chloro-N'-(1,3,4-trimethylpyrazolo[3,4-b]pyridin-6-yl)benzohydrazide
SYSTEMATIC NAME: 4-chloranyl-N'-(1,3,4-trimethylpyrazolo[3,4-b]pyridin-6-yl)benzohydrazide
MOLECULAR FORMULA: C16H16ClN5O
MOLECULAR WEIGHT: 329.78414
SMILES: CC1=CC(=NC2=C1C(=NN2C)C)NNC(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 3-(trifluoromethyl)-N'-(1,3,4-trimethylpyrazolo[3,4-b]pyridin-6-yl)benzohydrazide
CAS Name: 3-(trifluoromethyl)-N'-(1,3,4-trimethyl-6-pyrazolo[3,4-b]pyridinyl)benzohydrazide
IUPAC NAME: 3-(trifluoromethyl)-N'-(1,3,4-trimethylpyrazolo[3,4-b]pyridin-6-yl)benzohydrazide
SYSTEMATIC NAME: 3-(trifluoromethyl)-N'-(1,3,4-trimethylpyrazolo[3,4-b]pyridin-6-yl)benzohydrazide
MOLECULAR FORMULA: C17H16F3N5O
MOLECULAR WEIGHT: 363.33705
SMILES: CC1=CC(=NC2=C1C(=NN2C)C)NNC(=O)C3=CC(=CC=C3)C(F)(F)F
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Product OPENEYE NAME: 4-chloro-N'-(1,3,4-trimethylpyrazolo[3,4-b]pyridin-6-yl)benzenesulfonohydrazide
CAS Name: 4-chloro-N'-(1,3,4-trimethyl-6-pyrazolo[3,4-b]pyridinyl)benzenesulfonohydrazide
IUPAC NAME: 4-chloro-N'-(1,3,4-trimethylpyrazolo[3,4-b]pyridin-6-yl)benzenesulfonohydrazide
SYSTEMATIC NAME: 4-chloranyl-N'-(1,3,4-trimethylpyrazolo[3,4-b]pyridin-6-yl)benzenesulfonohydrazide
MOLECULAR FORMULA: C15H16ClN5O2S
MOLECULAR WEIGHT: 365.83784
SMILES: CC1=CC(=NC2=C1C(=NN2C)C)NNS(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: N-(2-chlorophenyl)-2-[4-(6,6-dimethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophen-1-yl)pyrimidin-2-yl]sulfanyl-acetamide
CAS Name: N-(2-chlorophenyl)-2-[[4-[6,6-dimethyl-3-(methylthio)-4-oxo-5,7-dihydro-2-benzothiophen-1-yl]-2-pyrimidinyl]thio]acetamide
IUPAC NAME: N-(2-chlorophenyl)-2-[4-(6,6-dimethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophen-1-yl)pyrimidin-2-yl]sulfanylacetamide
SYSTEMATIC NAME: N-(2-chlorophenyl)-2-[4-(6,6-dimethyl-3-methylsulfanyl-4-oxidanylidene-5,7-dihydro-2-benzothiophen-1-yl)pyrimidin-2-yl]sulfanyl-ethanamide
MOLECULAR FORMULA: C23H22ClN3O2S3
MOLECULAR WEIGHT: 504.08768
SMILES: CC1(CC2=C(SC(=C2C(=O)C1)SC)C3=NC(=NC=C3)SCC(=O)NC4=CC=CC=C4Cl)C
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Product OPENEYE NAME: 2-[2-(benzenesulfonyl)ethylsulfanyl]-5-(trifluoromethyl)pyridine
CAS Name: 2-[2-(benzenesulfonyl)ethylthio]-5-(trifluoromethyl)pyridine
IUPAC NAME: 2-[2-(benzenesulfonyl)ethylsulfanyl]-5-(trifluoromethyl)pyridine
SYSTEMATIC NAME: 2-[2-(phenylsulfonyl)ethylsulfanyl]-5-(trifluoromethyl)pyridine
MOLECULAR FORMULA: C14H12F3NO2S2
MOLECULAR WEIGHT: 347.37579
SMILES: C1=CC=C(C=C1)S(=O)(=O)CCSC2=NC=C(C=C2)C(F)(F)F
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Product OPENEYE NAME: 2-[2-(p-tolylsulfonyl)ethylsulfanyl]-5-(trifluoromethyl)pyridine
CAS Name: 2-[2-(4-methylphenyl)sulfonylethylthio]-5-(trifluoromethyl)pyridine
IUPAC NAME: 2-[2-(4-methylphenyl)sulfonylethylsulfanyl]-5-(trifluoromethyl)pyridine
SYSTEMATIC NAME: 2-[2-(4-methylphenyl)sulfonylethylsulfanyl]-5-(trifluoromethyl)pyridine
MOLECULAR FORMULA: C15H14F3NO2S2
MOLECULAR WEIGHT: 361.40237
SMILES: CC1=CC=C(C=C1)S(=O)(=O)CCSC2=NC=C(C=C2)C(F)(F)F
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Product OPENEYE NAME: 1-[2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanylpyrimidin-4-yl]-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one
CAS Name: 1-[2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-4-pyrimidinyl]-3-(methylthio)-6,7-dihydro-5H-2-benzothiophen-4-one
IUPAC NAME: 1-[2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylpyrimidin-4-yl]-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one
SYSTEMATIC NAME: 1-[2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-yl]-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one
MOLECULAR FORMULA: C21H17ClN2O2S3
MOLECULAR WEIGHT: 461.01988
SMILES: CSC1=C2C(=C(S1)C3=NC(=NC=C3)SCC(=O)C4=CC=C(C=C4)Cl)CCCC2=O
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Product OPENEYE NAME: 1-[2-(3,3-dimethyl-2-oxo-butyl)sulfanylpyrimidin-4-yl]-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-one
CAS Name: 1-[2-[(3,3-dimethyl-2-oxobutyl)thio]-4-pyrimidinyl]-6,6-dimethyl-3-(methylthio)-5,7-dihydro-2-benzothiophen-4-one
IUPAC NAME: 1-[2-(3,3-dimethyl-2-oxobutyl)sulfanylpyrimidin-4-yl]-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-one
SYSTEMATIC NAME: 1-[2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanylpyrimidin-4-yl]-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-one
MOLECULAR FORMULA: C21H26N2O2S3
MOLECULAR WEIGHT: 434.63834
SMILES: CC1(CC2=C(SC(=C2C(=O)C1)SC)C3=NC(=NC=C3)SCC(=O)C(C)(C)C)C
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