Monday, November 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N-[(4-chlorophenyl)-methyl-oxo-$l^{6}-sulfanylidene]-2,1,3-benzoxadiazole-4-sulfonamide
CAS Name: N-[(4-chlorophenyl)-methyl-oxo-$l^{6}-sulfanylidene]-2,1,3-benzoxadiazole-4-sulfonamide
IUPAC NAME: N-[(4-chlorophenyl)-methyl-oxo-$l^{6}-sulfanylidene]-2,1,3-benzoxadiazole-4-sulfonamide
SYSTEMATIC NAME: N-[(4-chlorophenyl)-methyl-oxidanylidene-$l^{6}-sulfanylidene]-2,1,3-benzoxadiazole-4-sulfonamide
MOLECULAR FORMULA: C13H10ClN3O4S2
MOLECULAR WEIGHT: 371.8192
SMILES: CS(=NS(=O)(=O)C1=CC=CC2=NON=C21)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 3-pyridyl 2,1,3-benzoxadiazole-4-sulfonate
CAS Name: 2,1,3-benzoxadiazole-4-sulfonic acid 3-pyridinyl ester
IUPAC NAME: pyridin-3-yl 2,1,3-benzoxadiazole-4-sulfonate
SYSTEMATIC NAME: pyridin-3-yl 2,1,3-benzoxadiazole-4-sulfonate
MOLECULAR FORMULA: C11H7N3O4S
MOLECULAR WEIGHT: 277.25598
SMILES: C1=CC2=NON=C2C(=C1)S(=O)(=O)OC3=CN=CC=C3
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Product OPENEYE NAME: methyl 3-(2,1,3-benzoxadiazol-4-ylsulfonyloxy)thiophene-2-carboxylate
CAS Name: 3-(2,1,3-benzoxadiazol-4-ylsulfonyloxy)-2-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 3-(2,1,3-benzoxadiazol-4-ylsulfonyloxy)thiophene-2-carboxylate
SYSTEMATIC NAME: methyl 3-(2,1,3-benzoxadiazol-4-ylsulfonyloxy)thiophene-2-carboxylate
MOLECULAR FORMULA: C12H8N2O6S2
MOLECULAR WEIGHT: 340.33172
SMILES: COC(=O)C1=C(C=CS1)OS(=O)(=O)C2=CC=CC3=NON=C32
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Product OPENEYE NAME: [[amino(2,3-dihydro-1,4-benzodioxin-3-yl)methylene]amino] N-(2,4-dichlorophenyl)carbamate
CAS Name: N-(2,4-dichlorophenyl)carbamic acid [[amino(2,3-dihydro-1,4-benzodioxin-3-yl)methylidene]amino] ester
IUPAC NAME: [[amino(2,3-dihydro-1,4-benzodioxin-3-yl)methylidene]amino] N-(2,4-dichlorophenyl)carbamate
SYSTEMATIC NAME: [[azanyl(2,3-dihydro-1,4-benzodioxin-3-yl)methylidene]amino] N-(2,4-dichlorophenyl)carbamate
MOLECULAR FORMULA: C16H13Cl2N3O4
MOLECULAR WEIGHT: 382.19812
SMILES: C1C(OC2=CC=CC=C2O1)C(=NOC(=O)NC3=C(C=C(C=C3)Cl)Cl)N
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Product OPENEYE NAME: ethyl 1,3-dimethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazolo[3,4-b]pyridine-5-carboxylate
CAS Name: 1,3-dimethyl-4-[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]-5-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1,3-dimethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazolo[3,4-b]pyridine-5-carboxylate
SYSTEMATIC NAME: ethyl 1,3-dimethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazolo[3,4-b]pyridine-5-carboxylate
MOLECULAR FORMULA: C14H15N5O2S3
MOLECULAR WEIGHT: 381.4962
SMILES: CCOC(=O)C1=CN=C2C(=C1SC3=NN=C(S3)SC)C(=NN2C)C
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Product OPENEYE NAME: 5-chloro-N-[[4-(2-cyano-3-fluoro-phenoxy)phenyl]-methyl-oxo-$l^{6}-sulfanylidene]thiophene-2-sulfonamide
CAS Name: 5-chloro-N-[[4-(2-cyano-3-fluorophenoxy)phenyl]-methyl-oxo-$l^{6}-sulfanylidene]-2-thiophenesulfonamide
IUPAC NAME: 5-chloro-N-[[4-(2-cyano-3-fluorophenoxy)phenyl]-methyl-oxo-$l^{6}-sulfanylidene]thiophene-2-sulfonamide
SYSTEMATIC NAME: 5-chloranyl-N-[[4-(2-cyano-3-fluoranyl-phenoxy)phenyl]-methyl-oxidanylidene-$l^{6}-sulfanylidene]thiophene-2-sulfonamide
MOLECULAR FORMULA: C18H12ClFN2O4S3
MOLECULAR WEIGHT: 470.945283
SMILES: CS(=NS(=O)(=O)C1=CC=C(S1)Cl)(=O)C2=CC=C(C=C2)OC3=C(C(=CC=C3)F)C#N
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Product OPENEYE NAME: 2-(1,3-dithiepan-2-ylidene)-3-(2-methyl-3-furyl)-3-oxo-propanenitrile
CAS Name: 2-(1,3-dithiepan-2-ylidene)-3-(2-methyl-3-furanyl)-3-oxopropanenitrile
IUPAC NAME: 2-(1,3-dithiepan-2-ylidene)-3-(2-methylfuran-3-yl)-3-oxopropanenitrile
SYSTEMATIC NAME: 2-(1,3-dithiepan-2-ylidene)-3-(2-methylfuran-3-yl)-3-oxidanylidene-propanenitrile
MOLECULAR FORMULA: C13H13NO2S2
MOLECULAR WEIGHT: 279.37782
SMILES: CC1=C(C=CO1)C(=O)C(=C2SCCCCS2)C#N
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Product OPENEYE NAME: [[amino(2,3-dihydro-1,4-benzodioxin-3-yl)methylene]amino] benzoate
CAS Name: benzoic acid [[amino(2,3-dihydro-1,4-benzodioxin-3-yl)methylidene]amino] ester
IUPAC NAME: [[amino(2,3-dihydro-1,4-benzodioxin-3-yl)methylidene]amino] benzoate
SYSTEMATIC NAME: [[azanyl(2,3-dihydro-1,4-benzodioxin-3-yl)methylidene]amino] benzoate
MOLECULAR FORMULA: C16H14N2O4
MOLECULAR WEIGHT: 298.29336
SMILES: C1C(OC2=CC=CC=C2O1)C(=NOC(=O)C3=CC=CC=C3)N
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Product OPENEYE NAME: [[amino(2,3-dihydro-1,4-benzodioxin-3-yl)methylene]amino] 4-methoxybenzoate
CAS Name: 4-methoxybenzoic acid [[amino(2,3-dihydro-1,4-benzodioxin-3-yl)methylidene]amino] ester
IUPAC NAME: [[amino(2,3-dihydro-1,4-benzodioxin-3-yl)methylidene]amino] 4-methoxybenzoate
SYSTEMATIC NAME: [[azanyl(2,3-dihydro-1,4-benzodioxin-3-yl)methylidene]amino] 4-methoxybenzoate
MOLECULAR FORMULA: C17H16N2O5
MOLECULAR WEIGHT: 328.31934
SMILES: COC1=CC=C(C=C1)C(=O)ON=C(C2COC3=CC=CC=C3O2)N
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Product OPENEYE NAME: [[amino(2,3-dihydro-1,4-benzodioxin-3-yl)methylene]amino] 3-(trifluoromethyl)benzoate
CAS Name: 3-(trifluoromethyl)benzoic acid [[amino(2,3-dihydro-1,4-benzodioxin-3-yl)methylidene]amino] ester
IUPAC NAME: [[amino(2,3-dihydro-1,4-benzodioxin-3-yl)methylidene]amino] 3-(trifluoromethyl)benzoate
SYSTEMATIC NAME: [[azanyl(2,3-dihydro-1,4-benzodioxin-3-yl)methylidene]amino] 3-(trifluoromethyl)benzoate
MOLECULAR FORMULA: C17H13F3N2O4
MOLECULAR WEIGHT: 366.29133
SMILES: C1C(OC2=CC=CC=C2O1)C(=NOC(=O)C3=CC(=CC=C3)C(F)(F)F)N
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Product OPENEYE NAME: 2-[4-[N-[(E)-2-cyano-2-[[5-(trifluoromethyl)-2-pyridyl]sulfonyl]vinyl]-S-methyl-sulfonimidoyl]phenoxy]-6-fluoro-benzonitrile
CAS Name: 2-[4-[N-[(E)-2-cyano-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethenyl]-S-methylsulfonimidoyl]phenoxy]-6-fluorobenzonitrile
IUPAC NAME: 2-[4-[N-[(E)-2-cyano-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylethenyl]-S-methylsulfonimidoyl]phenoxy]-6-fluorobenzonitrile
SYSTEMATIC NAME: 2-[4-[N-[(E)-2-cyano-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonyl-ethenyl]-S-methyl-sulfonimidoyl]phenoxy]-6-fluoranyl-benzenecarbonitrile
MOLECULAR FORMULA: C23H14F4N4O4S2
MOLECULAR WEIGHT: 550.505273
SMILES: CS(=N/C=C(\C#N)/S(=O)(=O)C1=NC=C(C=C1)C(F)(F)F)(=O)C2=CC=C(C=C2)OC3=C(C(=CC=C3)F)C#N
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Product OPENEYE NAME: 2-[4-[N-[(E)-2-cyano-3-cyclopropyl-3-oxo-prop-1-enyl]-S-methyl-sulfonimidoyl]phenoxy]-6-fluoro-benzonitrile
CAS Name: 2-[4-[N-[(E)-2-cyano-3-cyclopropyl-3-oxoprop-1-enyl]-S-methylsulfonimidoyl]phenoxy]-6-fluorobenzonitrile
IUPAC NAME: 2-[4-[N-[(E)-2-cyano-3-cyclopropyl-3-oxoprop-1-enyl]-S-methylsulfonimidoyl]phenoxy]-6-fluorobenzonitrile
SYSTEMATIC NAME: 2-[4-[N-[(E)-2-cyano-3-cyclopropyl-3-oxidanylidene-prop-1-enyl]-S-methyl-sulfonimidoyl]phenoxy]-6-fluoranyl-benzenecarbonitrile
MOLECULAR FORMULA: C21H16FN3O3S
MOLECULAR WEIGHT: 409.433443
SMILES: CS(=N/C=C(\C#N)/C(=O)C1CC1)(=O)C2=CC=C(C=C2)OC3=C(C(=CC=C3)F)C#N
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Product OPENEYE NAME: 1-piperidyl-[5-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]-2-furyl]methanone
CAS Name: 1-piperidinyl-[5-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]-2-furanyl]methanone
IUPAC NAME: piperidin-1-yl-[5-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]furan-2-yl]methanone
SYSTEMATIC NAME: piperidin-1-yl-[5-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]furan-2-yl]methanone
MOLECULAR FORMULA: C20H21F3N2O3
MOLECULAR WEIGHT: 394.38755
SMILES: CC(=NOCC1=CC=C(O1)C(=O)N2CCCCC2)C3=CC(=CC=C3)C(F)(F)F
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Product OPENEYE NAME: S-phenyl 2,3-dihydro-1,4-benzodioxine-3-carbothioate
CAS Name: 2,3-dihydro-1,4-benzodioxin-3-carbothioic acid S-phenyl ester
IUPAC NAME: S-phenyl 2,3-dihydro-1,4-benzodioxine-3-carbothioate
SYSTEMATIC NAME: S-phenyl 2,3-dihydro-1,4-benzodioxine-3-carbothioate
MOLECULAR FORMULA: C15H12O3S
MOLECULAR WEIGHT: 272.31898
SMILES: C1C(OC2=CC=CC=C2O1)C(=O)SC3=CC=CC=C3
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Product OPENEYE NAME: [1-(2,3-dihydrobenzofuran-5-yl)ethylideneamino] benzoate
CAS Name: benzoic acid [1-(2,3-dihydrobenzofuran-5-yl)ethylideneamino] ester
IUPAC NAME: [1-(2,3-dihydro-1-benzofuran-5-yl)ethylideneamino] benzoate
SYSTEMATIC NAME: [1-(2,3-dihydro-1-benzofuran-5-yl)ethylideneamino] benzoate
MOLECULAR FORMULA: C17H15NO3
MOLECULAR WEIGHT: 281.3059
SMILES: CC(=NOC(=O)C1=CC=CC=C1)C2=CC3=C(C=C2)OCC3
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Product OPENEYE NAME: morpholino-[5-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]-2-furyl]methanone
CAS Name: 4-morpholinyl-[5-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]-2-furanyl]methanone
IUPAC NAME: morpholin-4-yl-[5-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]furan-2-yl]methanone
SYSTEMATIC NAME: morpholin-4-yl-[5-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]furan-2-yl]methanone
MOLECULAR FORMULA: C19H19F3N2O4
MOLECULAR WEIGHT: 396.36037
SMILES: CC(=NOCC1=CC=C(O1)C(=O)N2CCOCC2)C3=CC(=CC=C3)C(F)(F)F
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Product OPENEYE NAME: [1-(2,3-dihydrobenzofuran-5-yl)ethylideneamino] N-(4-chlorophenyl)carbamate
CAS Name: N-(4-chlorophenyl)carbamic acid [1-(2,3-dihydrobenzofuran-5-yl)ethylideneamino] ester
IUPAC NAME: [1-(2,3-dihydro-1-benzofuran-5-yl)ethylideneamino] N-(4-chlorophenyl)carbamate
SYSTEMATIC NAME: [1-(2,3-dihydro-1-benzofuran-5-yl)ethylideneamino] N-(4-chlorophenyl)carbamate
MOLECULAR FORMULA: C17H15ClN2O3
MOLECULAR WEIGHT: 330.7656
SMILES: CC(=NOC(=O)NC1=CC=C(C=C1)Cl)C2=CC3=C(C=C2)OCC3
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Product OPENEYE NAME: 5-(4-chlorophenyl)sulfanyl-4-nitro-2,1,3-benzothiadiazole
CAS Name: 5-[(4-chlorophenyl)thio]-4-nitro-2,1,3-benzothiadiazole
IUPAC NAME: 5-(4-chlorophenyl)sulfanyl-4-nitro-2,1,3-benzothiadiazole
SYSTEMATIC NAME: 5-(4-chlorophenyl)sulfanyl-4-nitro-2,1,3-benzothiadiazole
MOLECULAR FORMULA: C12H6ClN3O2S2
MOLECULAR WEIGHT: 323.77794
SMILES: C1=CC(=CC=C1SC2=C(C3=NSN=C3C=C2)[N+](=O)[O-])Cl
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Product OPENEYE NAME: [1-(2,3-dihydrobenzofuran-5-yl)ethylideneamino] N-(p-tolyl)carbamate
CAS Name: N-(4-methylphenyl)carbamic acid [1-(2,3-dihydrobenzofuran-5-yl)ethylideneamino] ester
IUPAC NAME: [1-(2,3-dihydro-1-benzofuran-5-yl)ethylideneamino] N-(4-methylphenyl)carbamate
SYSTEMATIC NAME: [1-(2,3-dihydro-1-benzofuran-5-yl)ethylideneamino] N-(4-methylphenyl)carbamate
MOLECULAR FORMULA: C18H18N2O3
MOLECULAR WEIGHT: 310.34712
SMILES: CC1=CC=C(C=C1)NC(=O)ON=C(C)C2=CC3=C(C=C2)OCC3
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Product OPENEYE NAME: N-[(4-chlorophenyl)methoxy]-1-(2,3-dihydrobenzofuran-5-yl)ethanimine
CAS Name: N-[(4-chlorophenyl)methoxy]-1-(2,3-dihydrobenzofuran-5-yl)ethanimine
IUPAC NAME: N-[(4-chlorophenyl)methoxy]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanimine
SYSTEMATIC NAME: N-[(4-chlorophenyl)methoxy]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanimine
MOLECULAR FORMULA: C17H16ClNO2
MOLECULAR WEIGHT: 301.76744
SMILES: CC(=NOCC1=CC=C(C=C1)Cl)C2=CC3=C(C=C2)OCC3
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Product OPENEYE NAME: 3-(4-chlorophenyl)-5-oxo-2H-furan-4-carbonitrile
CAS Name: 3-(4-chlorophenyl)-5-oxo-2H-furan-4-carbonitrile
IUPAC NAME: 3-(4-chlorophenyl)-5-oxo-2H-furan-4-carbonitrile
SYSTEMATIC NAME: 3-(4-chlorophenyl)-5-oxidanylidene-2H-furan-4-carbonitrile
MOLECULAR FORMULA: C11H6ClNO2
MOLECULAR WEIGHT: 219.62384
SMILES: C1C(=C(C(=O)O1)C#N)C2=CC=C(C=C2)Cl
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