Thursday, March 29, 2012

http://ChemLookup.com Compounds




CAS RN: 2133-81-5
CAS Name: 2-amino-9-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purine-6-thione
OPENEYE Name: 2-amino-9-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purine-6-thione
IUPAC Name: 2-amino-9-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione
SYSTEMATIC NAME: 2-azanyl-9-[(2S,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purine-6-thione
MOLECULAR FORMULA: C10H13N5O3S
MOLECULAR WEIGHT: 283.30692
SMILES: C1[C@@H]([C@H](O[C@@H]1N2C=NC3=C2NC(=NC3=S)N)CO)O
Structure:

CAS RN: 2946-51-2
CAS Name: 2-amino-9-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purine-6-thione
OPENEYE Name: 2-amino-9-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purine-6-thione
IUPAC Name: 2-amino-9-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione
SYSTEMATIC NAME: 2-azanyl-9-[(2S,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purine-6-thione
MOLECULAR FORMULA: C10H13N5O3S
MOLECULAR WEIGHT: 283.30692
SMILES: C1[C@@H]([C@H](O[C@@H]1N2C=NC3=C2NC(=NC3=S)N)CO)O
Structure:

CAS RN: 2536-88-1
CAS Name: 1H-1,2,3-benzotriazine-4-thione
OPENEYE Name: 1H-1,2,3-benzotriazine-4-thione
IUPAC Name: 1H-1,2,3-benzotriazine-4-thione
SYSTEMATIC NAME: 1H-1,2,3-benzotriazine-4-thione
MOLECULAR FORMULA: C7H5N3S
MOLECULAR WEIGHT: 163.1997
SMILES: C1=CC=C2C(=C1)C(=S)N=NN2
Structure:

CAS RN: 5462-29-3
CAS Name: (2Z)-5-chloro-2-(5-chloro-7-methyl-3-oxo-1-benzothiophen-2-ylidene)-7-methyl-1-benzothiophen-3-one
OPENEYE Name: (2Z)-5-chloro-2-(5-chloro-7-methyl-3-oxo-benzothiophen-2-ylidene)-7-methyl-benzothiophen-3-one
IUPAC Name: (2Z)-5-chloro-2-(5-chloro-7-methyl-3-oxo-1-benzothiophen-2-ylidene)-7-methyl-1-benzothiophen-3-one
SYSTEMATIC NAME: (2Z)-5-chloranyl-2-(5-chloranyl-7-methyl-3-oxidanylidene-1-benzothiophen-2-ylidene)-7-methyl-1-benzothiophen-3-one
MOLECULAR FORMULA: C18H10Cl2O2S2
MOLECULAR WEIGHT: 393.3068
SMILES: CC1=C2C(=CC(=C1)Cl)C(=O)/C(=C/3\C(=O)C4=CC(=CC(=C4S3)C)Cl)/S2
Structure:

CAS RN: 636-86-2
CAS Name: 5-[(2-hydroxyphenyl)methylidene]-2-sulfanylidene-4-imidazolidinone
OPENEYE Name: 5-[(2-hydroxyphenyl)methylene]-2-thioxo-imidazolidin-4-one
IUPAC Name: 5-[(2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
SYSTEMATIC NAME: 5-[(2-hydroxyphenyl)methylidene]-2-sulfanylidene-imidazolidin-4-one
MOLECULAR FORMULA: C10H8N2O2S
MOLECULAR WEIGHT: 220.24772
SMILES: C1=CC=C(C(=C1)C=C2C(=O)NC(=S)N2)O
Structure:

CAS RN: 86919-57-5
CAS Name: N-[1-(6-methyl-2-pyridinyl)ethylideneamino]-1-azepanecarbothioamide
OPENEYE Name: N-[1-(6-methyl-2-pyridyl)ethylideneamino]azepane-1-carbothioamide
IUPAC Name: N-[1-(6-methylpyridin-2-yl)ethylideneamino]azepane-1-carbothioamide
SYSTEMATIC NAME: N-[1-(6-methylpyridin-2-yl)ethylideneamino]azepane-1-carbothioamide
MOLECULAR FORMULA: C15H22N4S
MOLECULAR WEIGHT: 290.42698
SMILES: CC1=CC=CC(=N1)C(=NNC(=S)N2CCCCCC2)C
Structure:

CAS RN: 86919-56-4
CAS Name: 1,1-dimethyl-3-[1-(6-methyl-2-pyridinyl)ethylideneamino]thiourea
OPENEYE Name: 1,1-dimethyl-3-[1-(6-methyl-2-pyridyl)ethylideneamino]thiourea
IUPAC Name: 1,1-dimethyl-3-[1-(6-methylpyridin-2-yl)ethylideneamino]thiourea
SYSTEMATIC NAME: 1,1-dimethyl-3-[1-(6-methylpyridin-2-yl)ethylideneamino]thiourea
MOLECULAR FORMULA: C11H16N4S
MOLECULAR WEIGHT: 236.33654
SMILES: CC1=CC=CC(=N1)C(=NNC(=S)N(C)C)C
Structure:

CAS RN: 51984-12-4
CAS Name: 1-butyl-3-(2-pyridinylmethylideneamino)thiourea
OPENEYE Name: 1-butyl-3-(2-pyridylmethyleneamino)thiourea
IUPAC Name: 1-butyl-3-(pyridin-2-ylmethylideneamino)thiourea
SYSTEMATIC NAME: 1-butyl-3-(pyridin-2-ylmethylideneamino)thiourea
MOLECULAR FORMULA: C11H16N4S
MOLECULAR WEIGHT: 236.33654
SMILES: CCCCNC(=S)NN=CC1=CC=CC=N1
Structure:

CAS RN: 65518-40-3
CAS Name: 1-phenyl-3-[[phenyl(2-pyridinyl)methylidene]amino]thiourea
OPENEYE Name: 1-phenyl-3-[[phenyl(2-pyridyl)methylene]amino]thiourea
IUPAC Name: 1-phenyl-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea
SYSTEMATIC NAME: 1-phenyl-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea
MOLECULAR FORMULA: C19H16N4S
MOLECULAR WEIGHT: 332.42214
SMILES: C1=CC=C(C=C1)C(=NNC(=S)NC2=CC=CC=C2)C3=CC=CC=N3
Structure:

CAS RN: 70618-31-4
CAS Name: 1-(4-methoxyphenyl)-3-[1-(2-pyridinyl)ethylideneamino]thiourea
OPENEYE Name: 1-(4-methoxyphenyl)-3-[1-(2-pyridyl)ethylideneamino]thiourea
IUPAC Name: 1-(4-methoxyphenyl)-3-(1-pyridin-2-ylethylideneamino)thiourea
SYSTEMATIC NAME: 1-(4-methoxyphenyl)-3-(1-pyridin-2-ylethylideneamino)thiourea
MOLECULAR FORMULA: C15H16N4OS
MOLECULAR WEIGHT: 300.37874
SMILES: CC(=NNC(=S)NC1=CC=C(C=C1)OC)C2=CC=CC=N2
Structure:

CAS RN: 71555-48-1
CAS Name: 4-methyl-N-[1-(2-pyridinyl)ethylideneamino]-1-piperazinecarbothioamide
OPENEYE Name: 4-methyl-N-[1-(2-pyridyl)ethylideneamino]piperazine-1-carbothioamide
IUPAC Name: 4-methyl-N-(1-pyridin-2-ylethylideneamino)piperazine-1-carbothioamide
SYSTEMATIC NAME: 4-methyl-N-(1-pyridin-2-ylethylideneamino)piperazine-1-carbothioamide
MOLECULAR FORMULA: C13H19N5S
MOLECULAR WEIGHT: 277.38846
SMILES: CC(=NNC(=S)N1CCN(CC1)C)C2=CC=CC=N2
Structure:

CAS RN: 71555-28-7
CAS Name: N-[1-(2-pyridinyl)ethylideneamino]-1-piperidinecarbothioamide
OPENEYE Name: N-[1-(2-pyridyl)ethylideneamino]piperidine-1-carbothioamide
IUPAC Name: N-(1-pyridin-2-ylethylideneamino)piperidine-1-carbothioamide
SYSTEMATIC NAME: N-(1-pyridin-2-ylethylideneamino)piperidine-1-carbothioamide
MOLECULAR FORMULA: C13H18N4S
MOLECULAR WEIGHT: 262.37382
SMILES: CC(=NNC(=S)N1CCCCC1)C2=CC=CC=N2
Structure:

CAS RN: 16552-98-0
CAS Name: 1,1-dimethyl-3-(2-pyridinylmethylideneamino)thiourea
OPENEYE Name: 1,1-dimethyl-3-(2-pyridylmethyleneamino)thiourea
IUPAC Name: 1,1-dimethyl-3-(pyridin-2-ylmethylideneamino)thiourea
SYSTEMATIC NAME: 1,1-dimethyl-3-(pyridin-2-ylmethylideneamino)thiourea
MOLECULAR FORMULA: C9H12N4S
MOLECULAR WEIGHT: 208.28338
SMILES: CN(C)C(=S)NN=CC1=CC=CC=N1
Structure:

CAS RN: 71592-42-2
CAS Name: 1,1-diethyl-3-[1-(2-pyridinyl)ethylideneamino]thiourea
OPENEYE Name: 1,1-diethyl-3-[1-(2-pyridyl)ethylideneamino]thiourea
IUPAC Name: 1,1-diethyl-3-(1-pyridin-2-ylethylideneamino)thiourea
SYSTEMATIC NAME: 1,1-diethyl-3-(1-pyridin-2-ylethylideneamino)thiourea
MOLECULAR FORMULA: C12H18N4S
MOLECULAR WEIGHT: 250.36312
SMILES: CCN(CC)C(=S)NN=C(C)C1=CC=CC=N1
Structure:

CAS RN: 65088-78-0
CAS Name: 1-diethoxyphosphoryl-3-phenylthiourea
OPENEYE Name: 1-diethoxyphosphoryl-3-phenyl-thiourea
IUPAC Name: 1-diethoxyphosphoryl-3-phenylthiourea
SYSTEMATIC NAME: 1-diethoxyphosphoryl-3-phenyl-thiourea
MOLECULAR FORMULA: C11H17N2O3PS
MOLECULAR WEIGHT: 288.303041
SMILES: CCOP(=O)(NC(=S)NC1=CC=CC=C1)OCC
Structure:

CAS RN: 123439-80-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H16CuN8O12S4
MOLECULAR WEIGHT: 896.32184
SMILES: C1=CC2=C(C(=C1)S(=O)(=O)O)C3=NC4=NC(=NC5=C6C=CC(=CC6=C([N-]5)N=C7C8=C(C=C(C=C8)S(=O)(=O)O)C(=NC2=N3)[N-]7)S(=O)(=O)O)C9=C4C=CC(=C9)S(=O)(=O)O.[Cu+2]
Structure:

CAS RN: 14353-52-7
CAS Name: anilinocarbamodithioic acid
OPENEYE Name: anilinocarbamodithioic acid
IUPAC Name: anilinocarbamodithioic acid
SYSTEMATIC NAME: phenylazanylcarbamodithioic acid
MOLECULAR FORMULA: C7H8N2S2
MOLECULAR WEIGHT: 184.28182
SMILES: C1=CC=C(C=C1)NNC(=S)S
Structure:

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