Tuesday, November 27, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl 2,4-dichlorobenzoate
CAS Name: 2,4-dichlorobenzoic acid 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)thio]ethyl ester
IUPAC NAME: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl 2,4-dichlorobenzoate
SYSTEMATIC NAME: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl 2,4-bis(chloranyl)benzoate
MOLECULAR FORMULA: C15H9Cl2N3O5S
MOLECULAR WEIGHT: 414.22006
SMILES: C1=CC(=C(C=C1Cl)Cl)C(=O)OCCSC2=CC=C(C3=NON=C23)[N+](=O)[O-]
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Product OPENEYE NAME: (4-chlorophenyl) 2-(2,3-dihydro-1,4-benzodioxin-3-yl)thiazole-4-carboxylate
CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-thiazolecarboxylic acid (4-chlorophenyl) ester
IUPAC NAME: (4-chlorophenyl) 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole-4-carboxylate
SYSTEMATIC NAME: (4-chlorophenyl) 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole-4-carboxylate
MOLECULAR FORMULA: C18H12ClNO4S
MOLECULAR WEIGHT: 373.81018
SMILES: C1C(OC2=CC=CC=C2O1)C3=NC(=CS3)C(=O)OC4=CC=C(C=C4)Cl
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Product OPENEYE NAME: phenyl 2-(2,3-dihydro-1,4-benzodioxin-3-yl)thiazole-4-carboxylate
CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-thiazolecarboxylic acid phenyl ester
IUPAC NAME: phenyl 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole-4-carboxylate
SYSTEMATIC NAME: phenyl 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole-4-carboxylate
MOLECULAR FORMULA: C18H13NO4S
MOLECULAR WEIGHT: 339.36512
SMILES: C1C(OC2=CC=CC=C2O1)C3=NC(=CS3)C(=O)OC4=CC=CC=C4
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Product OPENEYE NAME: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl 4-methoxybenzoate
CAS Name: 4-methoxybenzoic acid 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)thio]ethyl ester
IUPAC NAME: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl 4-methoxybenzoate
SYSTEMATIC NAME: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl 4-methoxybenzoate
MOLECULAR FORMULA: C16H13N3O6S
MOLECULAR WEIGHT: 375.35592
SMILES: COC1=CC=C(C=C1)C(=O)OCCSC2=CC=C(C3=NON=C23)[N+](=O)[O-]
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Product OPENEYE NAME: 4-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-3-yl)thiazole
CAS Name: 4-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-3-yl)thiazole
IUPAC NAME: 4-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole
SYSTEMATIC NAME: 4-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole
MOLECULAR FORMULA: C15H17NO2S
MOLECULAR WEIGHT: 275.36598
SMILES: CC(C)(C)C1=CSC(=N1)C2COC3=CC=CC=C3O2
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Product OPENEYE NAME: [4-(trifluoromethyl)phenyl] 3-[[1-(3,4-dimethoxyphenyl)ethylideneamino]oxymethyl]benzoate
CAS Name: 3-[[1-(3,4-dimethoxyphenyl)ethylideneamino]oxymethyl]benzoic acid [4-(trifluoromethyl)phenyl] ester
IUPAC NAME: [4-(trifluoromethyl)phenyl] 3-[[1-(3,4-dimethoxyphenyl)ethylideneamino]oxymethyl]benzoate
SYSTEMATIC NAME: [4-(trifluoromethyl)phenyl] 3-[[1-(3,4-dimethoxyphenyl)ethylideneamino]oxymethyl]benzoate
MOLECULAR FORMULA: C25H22F3NO5
MOLECULAR WEIGHT: 473.44109
SMILES: CC(=NOCC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)C(F)(F)F)C3=CC(=C(C=C3)OC)OC
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Product OPENEYE NAME: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl 4-fluorobenzoate
CAS Name: 4-fluorobenzoic acid 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)thio]ethyl ester
IUPAC NAME: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl 4-fluorobenzoate
SYSTEMATIC NAME: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl 4-fluoranylbenzoate
MOLECULAR FORMULA: C15H10FN3O5S
MOLECULAR WEIGHT: 363.320403
SMILES: C1=CC(=CC=C1C(=O)OCCSC2=CC=C(C3=NON=C23)[N+](=O)[O-])F
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Product OPENEYE NAME: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl benzoate
CAS Name: benzoic acid 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)thio]ethyl ester
IUPAC NAME: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl benzoate
SYSTEMATIC NAME: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl benzoate
MOLECULAR FORMULA: C15H11N3O5S
MOLECULAR WEIGHT: 345.32994
SMILES: C1=CC=C(C=C1)C(=O)OCCSC2=CC=C(C3=NON=C23)[N+](=O)[O-]
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Product OPENEYE NAME: imino-methyl-phenyl-$l^{4}-sulfane; 2,4,6-trimethylbenzenesulfonic acid
CAS Name: imino-methyl-phenyl-$l^{4}-sulfane; 2,4,6-trimethylbenzenesulfonic acid
IUPAC NAME: imino-methyl-phenyl-$l^{4}-sulfane; 2,4,6-trimethylbenzenesulfonic acid
SYSTEMATIC NAME: azanylidene-methyl-phenyl-$l^{4}-sulfane; 2,4,6-trimethylbenzenesulfonic acid
MOLECULAR FORMULA: C16H21NO3S2
MOLECULAR WEIGHT: 339.47284
SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)O)C.CS(=N)C1=CC=CC=C1
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Product OPENEYE NAME: imino-methyl-phenyl-$l^{4}-sulfane
CAS Name: imino-methyl-phenyl-$l^{4}-sulfane
IUPAC NAME: imino-methyl-phenyl-$l^{4}-sulfane
SYSTEMATIC NAME: azanylidene-methyl-phenyl-$l^{4}-sulfane
MOLECULAR FORMULA: C7H9NS
MOLECULAR WEIGHT: 139.21806
SMILES: CS(=N)C1=CC=CC=C1
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Product OPENEYE NAME: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl 3-(trifluoromethyl)benzoate
CAS Name: 3-(trifluoromethyl)benzoic acid 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)thio]ethyl ester
IUPAC NAME: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl 3-(trifluoromethyl)benzoate
SYSTEMATIC NAME: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl 3-(trifluoromethyl)benzoate
MOLECULAR FORMULA: C16H10F3N3O5S
MOLECULAR WEIGHT: 413.32791
SMILES: C1=CC(=CC(=C1)C(F)(F)F)C(=O)OCCSC2=CC=C(C3=NON=C23)[N+](=O)[O-]
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Product OPENEYE NAME: 4-chloro-N-(2-thienylmethyl)benzenesulfonamide
CAS Name: 4-chloro-N-(thiophen-2-ylmethyl)benzenesulfonamide
IUPAC NAME: 4-chloro-N-(thiophen-2-ylmethyl)benzenesulfonamide
SYSTEMATIC NAME: 4-chloranyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
MOLECULAR FORMULA: C11H10ClNO2S2
MOLECULAR WEIGHT: 287.7856
SMILES: C1=CSC(=C1)CNS(=O)(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: methyl 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinuclidine-3-carboxylate hydrochloride
CAS Name: 2-[[3-(trifluoromethyl)phenyl]methylthio]-1-azabicyclo[2.2.2]octane-3-carboxylic acid methyl ester hydrochloride
IUPAC NAME: methyl 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1-azabicyclo[2.2.2]octane-3-carboxylate hydrochloride
SYSTEMATIC NAME: methyl 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1-azabicyclo[2.2.2]octane-3-carboxylate hydrochloride
MOLECULAR FORMULA: C17H21ClF3NO2S
MOLECULAR WEIGHT: 395.86735
SMILES: COC(=O)C1C2CCN(C1SCC3=CC(=CC=C3)C(F)(F)F)CC2.Cl
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Product OPENEYE NAME: methyl 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinuclidine-3-carboxylate
CAS Name: 2-[[3-(trifluoromethyl)phenyl]methylthio]-1-azabicyclo[2.2.2]octane-3-carboxylic acid methyl ester
IUPAC NAME: methyl 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1-azabicyclo[2.2.2]octane-3-carboxylate
SYSTEMATIC NAME: methyl 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1-azabicyclo[2.2.2]octane-3-carboxylate
MOLECULAR FORMULA: C17H20F3NO2S
MOLECULAR WEIGHT: 359.40641
SMILES: COC(=O)C1C2CCN(C1SCC3=CC(=CC=C3)C(F)(F)F)CC2
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Product OPENEYE NAME: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl N-phenylcarbamate
CAS Name: N-phenylcarbamic acid 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)thio]ethyl ester
IUPAC NAME: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl N-phenylcarbamate
SYSTEMATIC NAME: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl N-phenylcarbamate
MOLECULAR FORMULA: C15H12N4O5S
MOLECULAR WEIGHT: 360.34458
SMILES: C1=CC=C(C=C1)NC(=O)OCCSC2=CC=C(C3=NON=C23)[N+](=O)[O-]
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Product OPENEYE NAME: N-(2-furylmethyl)-4-nitro-2,1,3-benzoxadiazol-7-amine
CAS Name: N-(2-furanylmethyl)-4-nitro-2,1,3-benzoxadiazol-7-amine
IUPAC NAME: N-(furan-2-ylmethyl)-4-nitro-2,1,3-benzoxadiazol-7-amine
SYSTEMATIC NAME: N-(furan-2-ylmethyl)-4-nitro-2,1,3-benzoxadiazol-7-amine
MOLECULAR FORMULA: C11H8N4O4
MOLECULAR WEIGHT: 260.20562
SMILES: C1=COC(=C1)CNC2=CC=C(C3=NON=C23)[N+](=O)[O-]
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Product OPENEYE NAME: 3-[[1-(4-chlorophenyl)ethylideneamino]oxymethyl]-N-(methyl-oxo-phenyl-$l^{6}-sulfanylidene)benzamide
CAS Name: 3-[[1-(4-chlorophenyl)ethylideneamino]oxymethyl]-N-(methyl-oxo-phenyl-$l^{6}-sulfanylidene)benzamide
IUPAC NAME: 3-[[1-(4-chlorophenyl)ethylideneamino]oxymethyl]-N-(methyl-oxo-phenyl-$l^{6}-sulfanylidene)benzamide
SYSTEMATIC NAME: 3-[[1-(4-chlorophenyl)ethylideneamino]oxymethyl]-N-(methyl-oxidanylidene-phenyl-$l^{6}-sulfanylidene)benzamide
MOLECULAR FORMULA: C23H21ClN2O3S
MOLECULAR WEIGHT: 440.94244
SMILES: CC(=NOCC1=CC=CC(=C1)C(=O)N=S(=O)(C)C2=CC=CC=C2)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 3-[[1-(4-chlorophenyl)ethylideneamino]oxymethyl]-N-[methyl(p-tolyl)-$l^{4}-sulfanylidene]benzamide
CAS Name: 3-[[1-(4-chlorophenyl)ethylideneamino]oxymethyl]-N-[methyl-(4-methylphenyl)-$l^{4}-sulfanylidene]benzamide
IUPAC NAME: 3-[[1-(4-chlorophenyl)ethylideneamino]oxymethyl]-N-[methyl-(4-methylphenyl)-$l^{4}-sulfanylidene]benzamide
SYSTEMATIC NAME: 3-[[1-(4-chlorophenyl)ethylideneamino]oxymethyl]-N-[methyl-(4-methylphenyl)-$l^{4}-sulfanylidene]benzamide
MOLECULAR FORMULA: C24H23ClN2O2S
MOLECULAR WEIGHT: 438.96962
SMILES: CC1=CC=C(C=C1)S(=NC(=O)C2=CC(=CC=C2)CON=C(C)C3=CC=C(C=C3)Cl)C
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