Tuesday, September 4, 2012

All Chemical Compounds Information




Product OPENEYE NAME: S-(3,6-diethylpyrazin-2-yl) chloromethanethioate
CAS Name: chloromethanethioic acid S-(3,6-diethyl-2-pyrazinyl) ester
IUPAC NAME: S-(3,6-diethylpyrazin-2-yl) chloromethanethioate
SYSTEMATIC NAME: S-(3,6-diethylpyrazin-2-yl) chloranylmethanethioate
MOLECULAR FORMULA: C9H11ClN2OS
MOLECULAR WEIGHT: 230.71444
SMILES: CCC1=CN=C(C(=N1)SC(=O)Cl)CC
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Product OPENEYE NAME: S-(3,6-diisopropylpyrazin-2-yl) chloromethanethioate
CAS Name: chloromethanethioic acid S-[3,6-di(propan-2-yl)-2-pyrazinyl] ester
IUPAC NAME: S-[3,6-di(propan-2-yl)pyrazin-2-yl] chloromethanethioate
SYSTEMATIC NAME: S-[3,6-di(propan-2-yl)pyrazin-2-yl] chloranylmethanethioate
MOLECULAR FORMULA: C11H15ClN2OS
MOLECULAR WEIGHT: 258.7676
SMILES: CC(C)C1=CN=C(C(=N1)SC(=O)Cl)C(C)C
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Product OPENEYE NAME: S-(3,6-diisobutylpyrazin-2-yl) chloromethanethioate
CAS Name: chloromethanethioic acid S-[3,6-bis(2-methylpropyl)-2-pyrazinyl] ester
IUPAC NAME: S-[3,6-bis(2-methylpropyl)pyrazin-2-yl] chloromethanethioate
SYSTEMATIC NAME: S-[3,6-bis(2-methylpropyl)pyrazin-2-yl] chloranylmethanethioate
MOLECULAR FORMULA: C13H19ClN2OS
MOLECULAR WEIGHT: 286.82076
SMILES: CC(C)CC1=CN=C(C(=N1)SC(=O)Cl)CC(C)C
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Product OPENEYE NAME: 4,5-diphenyl-1,3-dithiol-1-ium
CAS Name: 4,5-diphenyl-1,3-dithiol-1-ium
IUPAC NAME: 4,5-diphenyl-1,3-dithiol-1-ium
SYSTEMATIC NAME: 4,5-diphenyl-1,3-dithiol-1-ium
MOLECULAR FORMULA: C15H11S2+
MOLECULAR WEIGHT: 255.37784
SMILES: C1=CC=C(C=C1)C2=C([S+]=CS2)C3=CC=CC=C3
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Product OPENEYE NAME: [2,6-bis(4-fluorophenyl)-4H-pyran-4-yl]-tributyl-phosphonium
CAS Name: [2,6-bis(4-fluorophenyl)-4H-pyran-4-yl]-tributylphosphonium
IUPAC NAME: [2,6-bis(4-fluorophenyl)-4H-pyran-4-yl]-tributylphosphanium
SYSTEMATIC NAME: [2,6-bis(4-fluorophenyl)-4H-pyran-4-yl]-tributyl-phosphanium
MOLECULAR FORMULA: C29H38F2OP+
MOLECULAR WEIGHT: 471.581987
SMILES: CCCC[P+](CCCC)(CCCC)C1C=C(OC(=C1)C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
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Product OPENEYE NAME: tributyl-(2,6-ditert-butyl-4H-pyran-4-yl)phosphonium
CAS Name: tributyl-(2,6-ditert-butyl-4H-pyran-4-yl)phosphonium
IUPAC NAME: tributyl-(2,6-ditert-butyl-4H-pyran-4-yl)phosphanium
SYSTEMATIC NAME: tributyl-(2,6-ditert-butyl-4H-pyran-4-yl)phosphanium
MOLECULAR FORMULA: C25H48OP+
MOLECULAR WEIGHT: 395.621781
SMILES: CCCC[P+](CCCC)(CCCC)C1C=C(OC(=C1)C(C)(C)C)C(C)(C)C
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Product OPENEYE NAME: tributyl-(2,6-diphenylpyran-4-ylidene)-$l^{5}-phosphane
CAS Name: tributyl-(2,6-diphenyl-4-pyranylidene)phosphorane
IUPAC NAME: tributyl-(2,6-diphenylpyran-4-ylidene)-$l^{5}-phosphane
SYSTEMATIC NAME: tributyl-(2,6-diphenylpyran-4-ylidene)-$l^{5}-phosphane
MOLECULAR FORMULA: C29H39OP
MOLECULAR WEIGHT: 434.593121
SMILES: CCCCP(=C1C=C(OC(=C1)C2=CC=CC=C2)C3=CC=CC=C3)(CCCC)CCCC
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Product OPENEYE NAME: [2,6-bis(4-fluorophenyl)pyran-4-ylidene]-tributyl-$l^{5}-phosphane
CAS Name: [2,6-bis(4-fluorophenyl)-4-pyranylidene]-tributylphosphorane
IUPAC NAME: [2,6-bis(4-fluorophenyl)pyran-4-ylidene]-tributyl-$l^{5}-phosphane
SYSTEMATIC NAME: [2,6-bis(4-fluorophenyl)pyran-4-ylidene]-tributyl-$l^{5}-phosphane
MOLECULAR FORMULA: C29H37F2OP
MOLECULAR WEIGHT: 470.574047
SMILES: CCCCP(=C1C=C(OC(=C1)C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)(CCCC)CCCC
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Product OPENEYE NAME: tributyl-(2,6-ditert-butylpyran-4-ylidene)-$l^{5}-phosphane
CAS Name: tributyl-(2,6-ditert-butyl-4-pyranylidene)phosphorane
IUPAC NAME: tributyl-(2,6-ditert-butylpyran-4-ylidene)-$l^{5}-phosphane
SYSTEMATIC NAME: tributyl-(2,6-ditert-butylpyran-4-ylidene)-$l^{5}-phosphane
MOLECULAR FORMULA: C25H47OP
MOLECULAR WEIGHT: 394.613841
SMILES: CCCCP(=C1C=C(OC(=C1)C(C)(C)C)C(C)(C)C)(CCCC)CCCC
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Product OPENEYE NAME: triphenyl(thiazolo[2,3-c][1,2,4]triazol-5-ylmethyl)phosphonium
CAS Name: triphenyl(5-thiazolo[2,3-c][1,2,4]triazolylmethyl)phosphonium
IUPAC NAME: triphenyl([1,3]thiazolo[2,3-c][1,2,4]triazol-5-ylmethyl)phosphanium
SYSTEMATIC NAME: triphenyl([1,3]thiazolo[2,3-c][1,2,4]triazol-5-ylmethyl)phosphanium
MOLECULAR FORMULA: C23H19N3PS+
MOLECULAR WEIGHT: 400.455821
SMILES: C1=CC=C(C=C1)[P+](CC2=CSC3=NN=CN23)(C4=CC=CC=C4)C5=CC=CC=C5
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Product OPENEYE NAME: [2-(2-isopropylidenehydrazino)thiazol-4-yl]methyl-triphenyl-phosphonium
CAS Name: triphenyl-[[2-(2-propan-2-ylidenehydrazinyl)-4-thiazolyl]methyl]phosphonium
IUPAC NAME: triphenyl-[[2-(2-propan-2-ylidenehydrazinyl)-1,3-thiazol-4-yl]methyl]phosphanium
SYSTEMATIC NAME: triphenyl-[[2-(2-propan-2-ylidenehydrazinyl)-1,3-thiazol-4-yl]methyl]phosphanium
MOLECULAR FORMULA: C25H25N3PS+
MOLECULAR WEIGHT: 430.524861
SMILES: CC(=NNC1=NC(=CS1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C
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Product OPENEYE NAME: N-(isopropylideneamino)-4-[(triphenyl-$l^{5}-phosphanylidene)methyl]thiazol-2-amine
CAS Name: N-(propan-2-ylideneamino)-4-(triphenylphosphoranylidenemethyl)-2-thiazolamine
IUPAC NAME: N-(propan-2-ylideneamino)-4-[(triphenyl-$l^{5}-phosphanylidene)methyl]-1,3-thiazol-2-amine
SYSTEMATIC NAME: N-(propan-2-ylideneamino)-4-[(triphenyl-$l^{5}-phosphanylidene)methyl]-1,3-thiazol-2-amine
MOLECULAR FORMULA: C25H24N3PS
MOLECULAR WEIGHT: 429.516921
SMILES: CC(=NNC1=NC(=CS1)C=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C
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Product OPENEYE NAME: isopropyl-[4-[(triphenyl-$l^{5}-phosphanylidene)methyl]thiazol-2-yl]diazene
CAS Name: propan-2-yl-[4-(triphenylphosphoranylidenemethyl)-2-thiazolyl]diazene
IUPAC NAME: propan-2-yl-[4-[(triphenyl-$l^{5}-phosphanylidene)methyl]-1,3-thiazol-2-yl]diazene
SYSTEMATIC NAME: propan-2-yl-[4-[(triphenyl-$l^{5}-phosphanylidene)methyl]-1,3-thiazol-2-yl]diazene
MOLECULAR FORMULA: C25H24N3PS
MOLECULAR WEIGHT: 429.516921
SMILES: CC(C)N=NC1=NC(=CS1)C=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: methyl (2E)-3-oxo-2-(2-phenyl-1H-quinazolin-4-ylidene)butanoate
CAS Name: (2E)-3-oxo-2-(2-phenyl-1H-quinazolin-4-ylidene)butanoic acid methyl ester
IUPAC NAME: methyl (2E)-3-oxo-2-(2-phenyl-1H-quinazolin-4-ylidene)butanoate
SYSTEMATIC NAME: methyl (2E)-3-oxidanylidene-2-(2-phenyl-1H-quinazolin-4-ylidene)butanoate
MOLECULAR FORMULA: C19H16N2O3
MOLECULAR WEIGHT: 320.34194
SMILES: CC(=O)/C(=C\1/C2=CC=CC=C2NC(=N1)C3=CC=CC=C3)/C(=O)OC
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Product OPENEYE NAME: (3Z)-3-[bromo(phenyl)methylene]isoindolin-1-one
CAS Name: (3Z)-3-[bromo(phenyl)methylidene]-1-isoindolone
IUPAC NAME: (3Z)-3-[bromo(phenyl)methylidene]isoindol-1-one
SYSTEMATIC NAME: (3Z)-3-[bromanyl(phenyl)methylidene]isoindol-1-one
MOLECULAR FORMULA: C15H10BrNO
MOLECULAR WEIGHT: 300.15
SMILES: C1=CC=C(C=C1)/C(=C/2\C3=CC=CC=C3C(=O)N2)/Br
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Product OPENEYE NAME: 2-[2-(3-thienylmethyl)phenyl]acetyl chloride
CAS Name: 2-[2-(3-thiophenylmethyl)phenyl]acetyl chloride
IUPAC NAME: 2-[2-(thiophen-3-ylmethyl)phenyl]acetyl chloride
SYSTEMATIC NAME: 2-[2-(thiophen-3-ylmethyl)phenyl]ethanoyl chloride
MOLECULAR FORMULA: C13H11ClOS
MOLECULAR WEIGHT: 250.74384
SMILES: C1=CC=C(C(=C1)CC2=CSC=C2)CC(=O)Cl
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Product OPENEYE NAME: N-[(E)-cyclooctylmethyleneamino]aniline
CAS Name: N-[(E)-cyclooctylmethylideneamino]aniline
IUPAC NAME: N-[(E)-cyclooctylmethylideneamino]aniline
SYSTEMATIC NAME: N-[(E)-cyclooctylmethylideneamino]aniline
MOLECULAR FORMULA: C15H22N2
MOLECULAR WEIGHT: 230.34858
SMILES: C1CCCC(CCC1)/C=N/NC2=CC=CC=C2
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Product OPENEYE NAME: 3-[3-[3-[hydrazino(dihydroxy)-$l^{4}-sulfanyl]phenyl]pyrazin-2-yl]benzenesulfonohydrazide
CAS Name: 3-[3-[3-[hydrazinyl(dihydroxy)-$l^{4}-sulfanyl]phenyl]-2-pyrazinyl]benzenesulfonohydrazide
IUPAC NAME: 3-[3-[3-[hydrazinyl(dihydroxy)-$l^{4}-sulfanyl]phenyl]pyrazin-2-yl]benzenesulfonohydrazide
SYSTEMATIC NAME: 3-[3-[3-[diazanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenyl]pyrazin-2-yl]benzenesulfonohydrazide
MOLECULAR FORMULA: C16H18N6O4S2
MOLECULAR WEIGHT: 422.48192
SMILES: C1=CC(=CC(=C1)S(NN)(O)O)C2=NC=CN=C2C3=CC(=CC=C3)S(=O)(=O)NN
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Product OPENEYE NAME: 3-[2-[[3-(2-carboxyethyl)-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methyl]-5-[(Z)-[4-[1-(carboxymethylsulfanyl)ethyl]-3-methyl-5-oxo-pyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
CAS Name: 3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-2-pyrrolylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-[4-[1-(carboxymethylthio)ethyl]-3-methyl-5-oxo-2-pyrrolylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
IUPAC NAME: 3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-[4-[1-(carboxymethylsulfanyl)ethyl]-3-methyl-5-oxopyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
SYSTEMATIC NAME: 3-[2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-[4-[1-(2-hydroxy-2-oxoethylsulfanyl)ethyl]-3-methyl-5-oxidanylidene-pyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-y
MOLECULAR FORMULA: C35H40N4O8S
MOLECULAR WEIGHT: 676.7791
SMILES: CC1=C(NC(=C1CCC(=O)O)CC2=C(C(=C(N2)/C=C\3/C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)/C=C\4/C(=C(C(=O)N4)C(C)SCC(=O)O)C
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Product OPENEYE NAME: 3-(2-acetamido-5-bromo-phenyl)-4-bromo-oxadiazol-3-ium-5-olate
CAS Name: 3-(2-acetamido-5-bromophenyl)-4-bromo-5-oxadiazol-3-iumolate
IUPAC NAME: 3-(2-acetamido-5-bromophenyl)-4-bromooxadiazol-3-ium-5-olate
SYSTEMATIC NAME: 3-(2-acetamido-5-bromanyl-phenyl)-4-bromanyl-1,2,3-oxadiazol-3-ium-5-olate
MOLECULAR FORMULA: C10H7Br2N3O3
MOLECULAR WEIGHT: 376.98888
SMILES: CC(=O)NC1=C(C=C(C=C1)Br)[N+]2=NOC(=C2Br)[O-]
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