Wednesday, September 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 3-chloro-N-[cyano(3-thienyl)methyl]pyrazole-1-carboxamide
CAS Name: 3-chloro-N-[cyano(3-thiophenyl)methyl]-1-pyrazolecarboxamide
IUPAC NAME: 3-chloro-N-[cyano(thiophen-3-yl)methyl]pyrazole-1-carboxamide
SYSTEMATIC NAME: 3-chloranyl-N-[cyano(thiophen-3-yl)methyl]pyrazole-1-carboxamide
MOLECULAR FORMULA: C10H7ClN4OS
MOLECULAR WEIGHT: 266.70678
SMILES: C1=CN(N=C1Cl)C(=O)NC(C#N)C2=CSC=C2
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Product OPENEYE NAME: 4-carbamothioyl-N,2,5-trimethyl-N-(3-thienyl)pyrazole-3-carboxamide
CAS Name: 4-carbamothioyl-N,2,5-trimethyl-N-(3-thiophenyl)-3-pyrazolecarboxamide
IUPAC NAME: 4-carbamothioyl-N,2,5-trimethyl-N-thiophen-3-ylpyrazole-3-carboxamide
SYSTEMATIC NAME: 4-carbamothioyl-N,2,5-trimethyl-N-thiophen-3-yl-pyrazole-3-carboxamide
MOLECULAR FORMULA: C12H14N4OS2
MOLECULAR WEIGHT: 294.39576
SMILES: CC1=NN(C(=C1C(=S)N)C(=O)N(C)C2=CSC=C2)C
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Product OPENEYE NAME: 4-carbamothioyl-2-ethyl-N,5-dimethyl-N-(3-thienyl)pyrazole-3-carboxamide
CAS Name: 4-carbamothioyl-2-ethyl-N,5-dimethyl-N-(3-thiophenyl)-3-pyrazolecarboxamide
IUPAC NAME: 4-carbamothioyl-2-ethyl-N,5-dimethyl-N-thiophen-3-ylpyrazole-3-carboxamide
SYSTEMATIC NAME: 4-carbamothioyl-2-ethyl-N,5-dimethyl-N-thiophen-3-yl-pyrazole-3-carboxamide
MOLECULAR FORMULA: C13H16N4OS2
MOLECULAR WEIGHT: 308.42234
SMILES: CCN1C(=C(C(=N1)C)C(=S)N)C(=O)N(C)C2=CSC=C2
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Product OPENEYE NAME: N-(2-furyl)thioformamide
CAS Name: N-(2-furanyl)methanethioamide
IUPAC NAME: N-(furan-2-yl)methanethioamide
SYSTEMATIC NAME: N-(furan-2-yl)methanethioamide
MOLECULAR FORMULA: C5H5NOS
MOLECULAR WEIGHT: 127.1643
SMILES: C1=COC(=C1)NC=S
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Product OPENEYE NAME: tert-butylsulfanyloxy-methylsulfanyl-oxido-thioxo-$l^{5}-phosphane
CAS Name: 2-methyl-2-propanesulfenic acid
IUPAC NAME: tert-butylsulfanyloxy-methylsulfanyl-oxido-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: tert-butylsulfanyloxy-methylsulfanyl-oxidanidyl-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C5H12O2PS3-
MOLECULAR WEIGHT: 231.316341
SMILES: CC(C)(C)SOP(=S)([O-])SC
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Product OPENEYE NAME: tert-butylsulfanyloxy-hydroxy-methylsulfanyl-thioxo-$l^{5}-phosphane
CAS Name: 2-methyl-2-propanesulfenic acid
IUPAC NAME: tert-butylsulfanyloxy-hydroxy-methylsulfanyl-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: tert-butylsulfanyloxy-methylsulfanyl-oxidanyl-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C5H13O2PS3
MOLECULAR WEIGHT: 232.324281
SMILES: CC(C)(C)SOP(=S)(O)SC
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Product OPENEYE NAME: dihydroxy-(4-methylsulfinylphenoxy)-thioxo-$l^{5}-phosphane
CAS Name: dihydroxy-(4-methylsulfinylphenoxy)-sulfanylidenephosphorane
IUPAC NAME: dihydroxy-(4-methylsulfinylphenoxy)-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: (4-methylsulfinylphenoxy)-bis(oxidanyl)-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C7H9O4PS2
MOLECULAR WEIGHT: 252.247721
SMILES: CS(=O)C1=CC=C(C=C1)OP(=S)(O)O
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Product OPENEYE NAME: 4-methoxy-4-thioxo-1,2,3,4$l^{5}-oxadithiaphosphetane
CAS Name: 4-methoxy-4-sulfanylidene-1,2,3,4$l^{5}-oxadithiaphosphetane
IUPAC NAME: 4-methoxy-4-sulfanylidene-1,2,3,4$l^{5}-oxadithiaphosphetane
SYSTEMATIC NAME: 4-methoxy-4-sulfanylidene-1,2,3,4$l^{5}-oxadithiaphosphetane
MOLECULAR FORMULA: CH3O2PS3
MOLECULAR WEIGHT: 174.202081
SMILES: COP1(=S)OSS1
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Product OPENEYE NAME: (isopropylamino)-(7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-carbonyloxy)-thioxo-phosphonium
CAS Name: [7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl(oxo)methoxy]-(propan-2-ylamino)-sulfanylidenephosphonium
IUPAC NAME: 7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-carbonyloxy-(propan-2-ylamino)-sulfanylidenephosphanium
SYSTEMATIC NAME: 7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-ylcarbonyloxy-(propan-2-ylamino)-sulfanylidene-phosphanium
MOLECULAR FORMULA: C10H11NO3PS+
MOLECULAR WEIGHT: 256.238001
SMILES: CC(C)N[P+](=S)OC(=O)C1=C2C(=CC=C1)O2
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Product OPENEYE NAME: 8-hydroxy-N-methyl-quinoline-2-carboxamide
CAS Name: 8-hydroxy-N-methyl-2-quinolinecarboxamide
IUPAC NAME: 8-hydroxy-N-methylquinoline-2-carboxamide
SYSTEMATIC NAME: N-methyl-8-oxidanyl-quinoline-2-carboxamide
MOLECULAR FORMULA: C11H10N2O2
MOLECULAR WEIGHT: 202.2093
SMILES: CNC(=O)C1=NC2=C(C=CC=C2O)C=C1
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Product OPENEYE NAME: oxido-(1-phenylethyl)-sulfido-thioxo-$l^{5}-phosphane
CAS Name: oxido-(1-phenylethyl)-sulfanylidene-sulfidophosphorane
IUPAC NAME: oxido-(1-phenylethyl)-sulfanylidene-sulfido-$l^{5}-phosphane
SYSTEMATIC NAME: oxidanidyl-(1-phenylethyl)-sulfanidyl-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C8H9OPS2-2
MOLECULAR WEIGHT: 216.260221
SMILES: CC(C1=CC=CC=C1)P(=S)([O-])[S-]
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Product OPENEYE NAME: hydroxy-(1-phenylethyl)-sulfanyl-thioxo-$l^{5}-phosphane
CAS Name: hydroxy-mercapto-(1-phenylethyl)-sulfanylidenephosphorane
IUPAC NAME: hydroxy-(1-phenylethyl)-sulfanyl-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: oxidanyl-(1-phenylethyl)-sulfanyl-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C8H11OPS2
MOLECULAR WEIGHT: 218.276101
SMILES: CC(C1=CC=CC=C1)P(=S)(O)S
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Product OPENEYE NAME: 1-(2-pyridylmethylsulfanyl)benzimidazole
CAS Name: 1-(2-pyridinylmethylthio)benzimidazole
IUPAC NAME: 1-(pyridin-2-ylmethylsulfanyl)benzimidazole
SYSTEMATIC NAME: 1-(pyridin-2-ylmethylsulfanyl)benzimidazole
MOLECULAR FORMULA: C13H11N3S
MOLECULAR WEIGHT: 241.31154
SMILES: C1=CC=C2C(=C1)N=CN2SCC3=CC=CC=N3
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Product OPENEYE NAME: 2-chloro-2-methyl-1-oxido-1H-pyridin-1-ium
CAS Name: 2-chloro-2-methyl-1-oxido-1H-pyridin-1-ium
IUPAC NAME: 2-chloro-2-methyl-1-oxido-1H-pyridin-1-ium
SYSTEMATIC NAME: 2-chloranyl-2-methyl-1-oxidanidyl-1H-pyridin-1-ium
MOLECULAR FORMULA: C6H8ClNO
MOLECULAR WEIGHT: 145.58682
SMILES: CC1(C=CC=C[NH+]1[O-])Cl
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Product OPENEYE NAME: 2-chloro-2-methyl-1-oxido-pyridine
CAS Name: 2-chloro-2-methyl-1-oxidopyridine
IUPAC NAME: 2-chloro-2-methyl-1-oxidopyridine
SYSTEMATIC NAME: 2-chloranyl-2-methyl-1-oxidanidyl-pyridine
MOLECULAR FORMULA: C6H7ClNO-
MOLECULAR WEIGHT: 144.57888
SMILES: CC1(C=CC=CN1[O-])Cl
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Product OPENEYE NAME: 1-[[3-methyl-4-(2-methylsulfanylethoxy)-2-pyridyl]methylsulfinyl]benzimidazole
CAS Name: 1-[[3-methyl-4-[2-(methylthio)ethoxy]-2-pyridinyl]methylsulfinyl]benzimidazole
IUPAC NAME: 1-[[3-methyl-4-(2-methylsulfanylethoxy)pyridin-2-yl]methylsulfinyl]benzimidazole
SYSTEMATIC NAME: 1-[[3-methyl-4-(2-methylsulfanylethoxy)pyridin-2-yl]methylsulfinyl]benzimidazole
MOLECULAR FORMULA: C17H19N3O2S2
MOLECULAR WEIGHT: 361.48166
SMILES: CC1=C(C=CN=C1CS(=O)N2C=NC3=CC=CC=C32)OCCSC
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