Saturday, November 24, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 1-(4-chlorophenyl)-3-(3-methylsulfonyl-6,7-dihydro-2-benzothiophen-1-yl)urea
CAS Name: 1-(4-chlorophenyl)-3-(3-methylsulfonyl-6,7-dihydro-2-benzothiophen-1-yl)urea
IUPAC NAME: 1-(4-chlorophenyl)-3-(3-methylsulfonyl-6,7-dihydro-2-benzothiophen-1-yl)urea
SYSTEMATIC NAME: 1-(4-chlorophenyl)-3-(3-methylsulfonyl-6,7-dihydro-2-benzothiophen-1-yl)urea
MOLECULAR FORMULA: C16H15ClN2O3S2
MOLECULAR WEIGHT: 382.8849
SMILES: CS(=O)(=O)C1=C2C=CCCC2=C(S1)NC(=O)NC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: N-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)-4-oxo-2,3-dihydrothiopyran-6-yl]sulfanyl]acetamide
CAS Name: N-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)-4-oxo-2,3-dihydrothiopyran-6-yl]thio]acetamide
IUPAC NAME: N-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)-4-oxo-2,3-dihydrothiopyran-6-yl]sulfanyl]acetamide
SYSTEMATIC NAME: N-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)-4-oxidanylidene-2,3-dihydrothiopyran-6-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C19H15Cl2NO2S2
MOLECULAR WEIGHT: 424.3639
SMILES: C1C(SC(=CC1=O)SCC(=O)NC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 2-(4-chlorophenyl)-6-phenacylsulfanyl-2,3-dihydrothiopyran-4-one
CAS Name: 2-(4-chlorophenyl)-6-(phenacylthio)-2,3-dihydrothiopyran-4-one
IUPAC NAME: 2-(4-chlorophenyl)-6-phenacylsulfanyl-2,3-dihydrothiopyran-4-one
SYSTEMATIC NAME: 2-(4-chlorophenyl)-6-phenacylsulfanyl-2,3-dihydrothiopyran-4-one
MOLECULAR FORMULA: C19H15ClO2S2
MOLECULAR WEIGHT: 374.9042
SMILES: C1C(SC(=CC1=O)SCC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 3-[hydroxy-[4-(trifluoromethoxy)anilino]methylene]-1-methyl-2,2-dioxo-2$l^{6},1-benzothiazin-4-one
CAS Name: 3-[hydroxy-[4-(trifluoromethoxy)anilino]methylidene]-1-methyl-2,2-dioxo-2$l^{6},1-benzothiazin-4-one
IUPAC NAME: 3-[hydroxy-[4-(trifluoromethoxy)anilino]methylidene]-1-methyl-2,2-dioxo-2$l^{6},1-benzothiazin-4-one
SYSTEMATIC NAME: 1-methyl-2,2-bis(oxidanylidene)-3-[oxidanyl-[[4-(trifluoromethyloxy)phenyl]amino]methylidene]-2$l^{6},1-benzothiazin-4-one
MOLECULAR FORMULA: C17H13F3N2O5S
MOLECULAR WEIGHT: 414.35573
SMILES: CN1C2=CC=CC=C2C(=O)C(=C(NC3=CC=C(C=C3)OC(F)(F)F)O)S1(=O)=O
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Product OPENEYE NAME: 2-[4-(trifluoromethoxy)phenyl]sulfanylacetonitrile
CAS Name: 2-[[4-(trifluoromethoxy)phenyl]thio]acetonitrile
IUPAC NAME: 2-[4-(trifluoromethoxy)phenyl]sulfanylacetonitrile
SYSTEMATIC NAME: 2-[4-(trifluoromethyloxy)phenyl]sulfanylethanenitrile
MOLECULAR FORMULA: C9H6F3NOS
MOLECULAR WEIGHT: 233.21025
SMILES: C1=CC(=CC=C1OC(F)(F)F)SCC#N
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Product OPENEYE NAME: (Z)-2-amino-3-[[4-(4-tert-butylthiazol-2-yl)phenyl]methyleneamino]but-2-enedinitrile
CAS Name: (Z)-2-amino-3-[[4-(4-tert-butyl-2-thiazolyl)phenyl]methylideneamino]-2-butenedinitrile
IUPAC NAME: (Z)-2-amino-3-[[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methylideneamino]but-2-enedinitrile
SYSTEMATIC NAME: (Z)-2-azanyl-3-[[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methylideneamino]but-2-enedinitrile
MOLECULAR FORMULA: C18H17N5S
MOLECULAR WEIGHT: 335.42608
SMILES: CC(C)(C)C1=CSC(=N1)C2=CC=C(C=C2)C=N/C(=C(/C#N)\N)/C#N
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Product OPENEYE NAME: 2-[(4-oxo-2-phenyl-2,3-dihydrothiopyran-6-yl)sulfanyl]acetonitrile
CAS Name: 2-[(4-oxo-2-phenyl-2,3-dihydrothiopyran-6-yl)thio]acetonitrile
IUPAC NAME: 2-[(4-oxo-2-phenyl-2,3-dihydrothiopyran-6-yl)sulfanyl]acetonitrile
SYSTEMATIC NAME: 2-[(4-oxidanylidene-2-phenyl-2,3-dihydrothiopyran-6-yl)sulfanyl]ethanenitrile
MOLECULAR FORMULA: C13H11NOS2
MOLECULAR WEIGHT: 261.36254
SMILES: C1C(SC(=CC1=O)SCC#N)C2=CC=CC=C2
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Product OPENEYE NAME: (4-chlorophenyl) 4-(benzenesulfonyl)thiophene-2-sulfonate
CAS Name: 4-(benzenesulfonyl)-2-thiophenesulfonic acid (4-chlorophenyl) ester
IUPAC NAME: (4-chlorophenyl) 4-(benzenesulfonyl)thiophene-2-sulfonate
SYSTEMATIC NAME: (4-chlorophenyl) 4-(phenylsulfonyl)thiophene-2-sulfonate
MOLECULAR FORMULA: C16H11ClO5S3
MOLECULAR WEIGHT: 414.90354
SMILES: C1=CC=C(C=C1)S(=O)(=O)C2=CSC(=C2)S(=O)(=O)OC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 3-(4-chlorophenyl)-2-[4-(trifluoromethoxy)phenyl]sulfonyl-prop-2-enenitrile
CAS Name: 3-(4-chlorophenyl)-2-[4-(trifluoromethoxy)phenyl]sulfonyl-2-propenenitrile
IUPAC NAME: 3-(4-chlorophenyl)-2-[4-(trifluoromethoxy)phenyl]sulfonylprop-2-enenitrile
SYSTEMATIC NAME: 3-(4-chlorophenyl)-2-[4-(trifluoromethyloxy)phenyl]sulfonyl-prop-2-enenitrile
MOLECULAR FORMULA: C16H9ClF3NO3S
MOLECULAR WEIGHT: 387.76077
SMILES: C1=CC(=CC=C1C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F)Cl
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Product OPENEYE NAME: 1-(3-methylsulfonyl-6,7-dihydro-2-benzothiophen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea
CAS Name: 1-(3-methylsulfonyl-6,7-dihydro-2-benzothiophen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea
IUPAC NAME: 1-(3-methylsulfonyl-6,7-dihydro-2-benzothiophen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea
SYSTEMATIC NAME: 1-(3-methylsulfonyl-6,7-dihydro-2-benzothiophen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea
MOLECULAR FORMULA: C17H15F3N2O3S2
MOLECULAR WEIGHT: 416.43781
SMILES: CS(=O)(=O)C1=C2C=CCCC2=C(S1)NC(=O)NC3=CC=CC(=C3)C(F)(F)F
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Product OPENEYE NAME: N-(4-chlorophenyl)-2-[[4-methyl-5-(2-thienylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CAS Name: N-(4-chlorophenyl)-2-[[4-methyl-5-[(thiophen-2-ylthio)methyl]-1,2,4-triazol-3-yl]thio]acetamide
IUPAC NAME: N-(4-chlorophenyl)-2-[[4-methyl-5-(thiophen-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SYSTEMATIC NAME: N-(4-chlorophenyl)-2-[[4-methyl-5-(thiophen-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C16H15ClN4OS3
MOLECULAR WEIGHT: 410.9645
SMILES: CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Cl)CSC3=CC=CS3
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Product OPENEYE NAME: N-(2,4-difluorophenyl)-2-[[4-methyl-5-(2-thienylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CAS Name: N-(2,4-difluorophenyl)-2-[[4-methyl-5-[(thiophen-2-ylthio)methyl]-1,2,4-triazol-3-yl]thio]acetamide
IUPAC NAME: N-(2,4-difluorophenyl)-2-[[4-methyl-5-(thiophen-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SYSTEMATIC NAME: N-[2,4-bis(fluoranyl)phenyl]-2-[[4-methyl-5-(thiophen-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C16H14F2N4OS3
MOLECULAR WEIGHT: 412.500366
SMILES: CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)F)F)CSC3=CC=CS3
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Product OPENEYE NAME: N-(4-isopropylphenyl)-2-[[4-methyl-5-(2-thienylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CAS Name: 2-[[4-methyl-5-[(thiophen-2-ylthio)methyl]-1,2,4-triazol-3-yl]thio]-N-(4-propan-2-ylphenyl)acetamide
IUPAC NAME: 2-[[4-methyl-5-(thiophen-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
SYSTEMATIC NAME: 2-[[4-methyl-5-(thiophen-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)ethanamide
MOLECULAR FORMULA: C19H22N4OS3
MOLECULAR WEIGHT: 418.59918
SMILES: CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CSC3=CC=CS3
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Product OPENEYE NAME: N-allyl-2-[[4-methyl-5-(2-thienylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CAS Name: 2-[[4-methyl-5-[(thiophen-2-ylthio)methyl]-1,2,4-triazol-3-yl]thio]-N-prop-2-enylacetamide
IUPAC NAME: 2-[[4-methyl-5-(thiophen-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide
SYSTEMATIC NAME: 2-[[4-methyl-5-(thiophen-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enyl-ethanamide
MOLECULAR FORMULA: C13H16N4OS3
MOLECULAR WEIGHT: 340.48734
SMILES: CN1C(=NN=C1SCC(=O)NCC=C)CSC2=CC=CS2
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Product OPENEYE NAME: 2-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole
CAS Name: 2-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylthio]-1,3,4-oxadiazole
IUPAC NAME: 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole
MOLECULAR FORMULA: C16H14BrF3N4OS
MOLECULAR WEIGHT: 447.27277
SMILES: CC1=C(C(=NN1CC2=NN=C(O2)SCC3=CC(=CC=C3)C(F)(F)F)C)Br
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Product OPENEYE NAME: 2-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazole
CAS Name: 2-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-5-[(2,6-dichlorophenyl)methylthio]-1,3,4-oxadiazole
IUPAC NAME: 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-1,3,4-oxadiazole
MOLECULAR FORMULA: C15H13BrCl2N4OS
MOLECULAR WEIGHT: 448.16492
SMILES: CC1=C(C(=NN1CC2=NN=C(O2)SCC3=C(C=CC=C3Cl)Cl)C)Br
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Product OPENEYE NAME: 3-[(3-chloroanilino)-hydroxy-methylene]-1-methyl-2,2-dioxo-thieno[3,2-c]thiazin-4-one
CAS Name: 3-[(3-chloroanilino)-hydroxymethylidene]-1-methyl-2,2-dioxo-4-thieno[3,2-c]thiazinone
IUPAC NAME: 3-[(3-chloroanilino)-hydroxymethylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one
SYSTEMATIC NAME: 3-[[(3-chlorophenyl)amino]-oxidanyl-methylidene]-1-methyl-2,2-bis(oxidanylidene)thieno[3,2-c][1,2]thiazin-4-one
MOLECULAR FORMULA: C14H11ClN2O4S2
MOLECULAR WEIGHT: 370.83114
SMILES: CN1C2=C(C(=O)C(=C(NC3=CC(=CC=C3)Cl)O)S1(=O)=O)SC=C2
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Product OPENEYE NAME: 3-[anilino(hydroxy)methylene]-1-methyl-2,2-dioxo-thieno[3,2-c]thiazin-4-one
CAS Name: 3-[anilino(hydroxy)methylidene]-1-methyl-2,2-dioxo-4-thieno[3,2-c]thiazinone
IUPAC NAME: 3-[anilino(hydroxy)methylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one
SYSTEMATIC NAME: 1-methyl-2,2-bis(oxidanylidene)-3-[oxidanyl(phenylazanyl)methylidene]thieno[3,2-c][1,2]thiazin-4-one
MOLECULAR FORMULA: C14H12N2O4S2
MOLECULAR WEIGHT: 336.38608
SMILES: CN1C2=C(C(=O)C(=C(NC3=CC=CC=C3)O)S1(=O)=O)SC=C2
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Product OPENEYE NAME: (3,5-dichlorophenyl) 4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)thiophene-2-sulfonate
CAS Name: 4-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]-2-thiophenesulfonic acid (3,5-dichlorophenyl) ester
IUPAC NAME: (3,5-dichlorophenyl) 4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)thiophene-2-sulfonate
SYSTEMATIC NAME: [3,5-bis(chloranyl)phenyl] 4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)thiophene-2-sulfonate
MOLECULAR FORMULA: C14H11Cl2N3O3S3
MOLECULAR WEIGHT: 436.35644
SMILES: CN1C(=NN=C1SC)C2=CSC(=C2)S(=O)(=O)OC3=CC(=CC(=C3)Cl)Cl
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Product OPENEYE NAME: N-[(2-chlorophenyl)methyleneamino]-2-[2-[(4-chlorophenyl)sulfanylmethyl]phenoxy]acetamide
CAS Name: N-[(2-chlorophenyl)methylideneamino]-2-[2-[[(4-chlorophenyl)thio]methyl]phenoxy]acetamide
IUPAC NAME: N-[(2-chlorophenyl)methylideneamino]-2-[2-[(4-chlorophenyl)sulfanylmethyl]phenoxy]acetamide
SYSTEMATIC NAME: N-[(2-chlorophenyl)methylideneamino]-2-[2-[(4-chlorophenyl)sulfanylmethyl]phenoxy]ethanamide
MOLECULAR FORMULA: C22H18Cl2N2O2S
MOLECULAR WEIGHT: 445.36152
SMILES: C1=CC=C(C(=C1)CSC2=CC=C(C=C2)Cl)OCC(=O)NN=CC3=CC=CC=C3Cl
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