Monday, April 30, 2012

http://ChemLookup.com Compounds




CAS RN: 17291-87-1
CAS Name: 1-[[(2R)-2-oxiranyl]methyl]-2-pyrrolidinone
OPENEYE Name: 1-[[(2R)-oxiran-2-yl]methyl]pyrrolidin-2-one
IUPAC Name: 1-[[(2R)-oxiran-2-yl]methyl]pyrrolidin-2-one
SYSTEMATIC NAME: 1-[[(2R)-oxiran-2-yl]methyl]pyrrolidin-2-one
MOLECULAR FORMULA: C7H11NO2
MOLECULAR WEIGHT: 141.16774
SMILES: C1CC(=O)N(C1)C[C@@H]2CO2
Structure:

CAS RN: 17291-86-0
CAS Name: 1-[[(2S)-2-oxiranyl]methyl]-2-pyrrolidinone
OPENEYE Name: 1-[[(2S)-oxiran-2-yl]methyl]pyrrolidin-2-one
IUPAC Name: 1-[[(2S)-oxiran-2-yl]methyl]pyrrolidin-2-one
SYSTEMATIC NAME: 1-[[(2S)-oxiran-2-yl]methyl]pyrrolidin-2-one
MOLECULAR FORMULA: C7H11NO2
MOLECULAR WEIGHT: 141.16774
SMILES: C1CC(=O)N(C1)C[C@H]2CO2
Structure:

CAS RN: 26028-63-7
CAS Name: 3-(3-chlorophenyl)-4-ethyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 3-(3-chlorophenyl)-4-ethyl-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-(3-chlorophenyl)-4-ethyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-(3-chlorophenyl)-4-ethyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C10H10ClN3S
MOLECULAR WEIGHT: 239.7245
SMILES: CCN1C(=NNC1=S)C2=CC(=CC=C2)Cl
Structure:

CAS RN: 635-50-7
CAS Name: (3aR,7aS)-2-(2-methylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
OPENEYE Name: (3aR,7aS)-2-(o-tolyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
IUPAC Name: (3aR,7aS)-2-(2-methylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
SYSTEMATIC NAME: (3aR,7aS)-2-(2-methylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
MOLECULAR FORMULA: C15H15NO2
MOLECULAR WEIGHT: 241.2851
SMILES: CC1=CC=CC=C1N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
Structure:

CAS RN: 27700-39-6
CAS Name: (2S)-1-(1-oxo-2-phenylethyl)-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-(2-phenylacetyl)pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-(2-phenylacetyl)pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-(2-phenylethanoyl)pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C13H15NO3
MOLECULAR WEIGHT: 233.2631
SMILES: C1C[C@H](N(C1)C(=O)CC2=CC=CC=C2)C(=O)O
Structure:

CAS RN: 39995-51-2
CAS Name: 5-(1H-benzimidazol-2-ylthio)-2-furancarboxaldehyde
OPENEYE Name: 5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carbaldehyde
IUPAC Name: 5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carbaldehyde
SYSTEMATIC NAME: 5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carbaldehyde
MOLECULAR FORMULA: C12H8N2O2S
MOLECULAR WEIGHT: 244.26912
SMILES: C1=CC=C2C(=C1)NC(=N2)SC3=CC=C(O3)C=O
Structure:

CAS RN: 2762-59-6
CAS Name: N-phenyl-1-piperidinecarbothioamide
OPENEYE Name: N-phenylpiperidine-1-carbothioamide
IUPAC Name: N-phenylpiperidine-1-carbothioamide
SYSTEMATIC NAME: N-phenylpiperidine-1-carbothioamide
MOLECULAR FORMULA: C12H16N2S
MOLECULAR WEIGHT: 220.33384
SMILES: C1CCN(CC1)C(=S)NC2=CC=CC=C2
Structure:

CAS RN: 14327-04-9
CAS Name: 1-tert-butyl-3-phenylthiourea
OPENEYE Name: 1-tert-butyl-3-phenyl-thiourea
IUPAC Name: 1-tert-butyl-3-phenylthiourea
SYSTEMATIC NAME: 1-tert-butyl-3-phenyl-thiourea
MOLECULAR FORMULA: C11H16N2S
MOLECULAR WEIGHT: 208.32314
SMILES: CC(C)(C)NC(=S)NC1=CC=CC=C1
Structure:

CAS RN: 3129-54-2
CAS Name: 1-(3-methoxyphenyl)-3-phenylthiourea
OPENEYE Name: 1-(3-methoxyphenyl)-3-phenyl-thiourea
IUPAC Name: 1-(3-methoxyphenyl)-3-phenylthiourea
SYSTEMATIC NAME: 1-(3-methoxyphenyl)-3-phenyl-thiourea
MOLECULAR FORMULA: C14H14N2OS
MOLECULAR WEIGHT: 258.33876
SMILES: COC1=CC=CC(=C1)NC(=S)NC2=CC=CC=C2
Structure:

CAS RN: 1932-36-1
CAS Name: 1-(2-chlorophenyl)-3-phenylthiourea
OPENEYE Name: 1-(2-chlorophenyl)-3-phenyl-thiourea
IUPAC Name: 1-(2-chlorophenyl)-3-phenylthiourea
SYSTEMATIC NAME: 1-(2-chlorophenyl)-3-phenyl-thiourea
MOLECULAR FORMULA: C13H11ClN2S
MOLECULAR WEIGHT: 262.75784
SMILES: C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2Cl
Structure:

CAS RN: 194-08-1
CAS Name: 1-(2-chlorophenyl)-3-phenylthiourea
OPENEYE Name: 1-(2-chlorophenyl)-3-phenyl-thiourea
IUPAC Name: 1-(2-chlorophenyl)-3-phenylthiourea
SYSTEMATIC NAME: 1-(2-chlorophenyl)-3-phenyl-thiourea
MOLECULAR FORMULA: C13H11ClN2S
MOLECULAR WEIGHT: 262.75784
SMILES: C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2Cl
Structure:

CAS RN: 72030-13-8
CAS Name: (Z)-2-(4-chlorophenyl)-3-(1-naphthalenyl)-2-propenenitrile
OPENEYE Name: (Z)-2-(4-chlorophenyl)-3-(1-naphthyl)prop-2-enenitrile
IUPAC Name: (Z)-2-(4-chlorophenyl)-3-naphthalen-1-ylprop-2-enenitrile
SYSTEMATIC NAME: (Z)-2-(4-chlorophenyl)-3-naphthalen-1-yl-prop-2-enenitrile
MOLECULAR FORMULA: C19H12ClN
MOLECULAR WEIGHT: 289.75828
SMILES: C1=CC=C2C(=C1)C=CC=C2/C=C(\C#N)/C3=CC=C(C=C3)Cl
Structure:

CAS RN: 104089-72-7
CAS Name: (Z)-2-(4-chlorophenyl)-3-(3-nitrophenyl)-2-propenenitrile
OPENEYE Name: (Z)-2-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile
IUPAC Name: (Z)-2-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile
SYSTEMATIC NAME: (Z)-2-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile
MOLECULAR FORMULA: C15H9ClN2O2
MOLECULAR WEIGHT: 284.69716
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])/C=C(\C#N)/C2=CC=C(C=C2)Cl
Structure:

CAS RN: 72030-11-6
CAS Name: (Z)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-propenenitrile
OPENEYE Name: (Z)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enenitrile
IUPAC Name: (Z)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enenitrile
SYSTEMATIC NAME: (Z)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enenitrile
MOLECULAR FORMULA: C16H12ClNO
MOLECULAR WEIGHT: 269.72558
SMILES: COC1=CC=C(C=C1)/C=C(\C#N)/C2=CC=C(C=C2)Cl
Structure:

CAS RN: 2724-69-8
CAS Name: 1-methyl-3-phenylthiourea
OPENEYE Name: 1-methyl-3-phenyl-thiourea
IUPAC Name: 1-methyl-3-phenylthiourea
SYSTEMATIC NAME: 1-methyl-3-phenyl-thiourea
MOLECULAR FORMULA: C8H10N2S
MOLECULAR WEIGHT: 166.2434
SMILES: CNC(=S)NC1=CC=CC=C1
Structure:

CAS RN: 3414-94-6
CAS Name: 5-phenyl-1,2-dihydro-1,2,4-triazole-3-thione
OPENEYE Name: 5-phenyl-1,2-dihydro-1,2,4-triazole-3-thione
IUPAC Name: 5-phenyl-1,2-dihydro-1,2,4-triazole-3-thione
SYSTEMATIC NAME: 5-phenyl-1,2-dihydro-1,2,4-triazole-3-thione
MOLECULAR FORMULA: C8H7N3S
MOLECULAR WEIGHT: 177.22628
SMILES: C1=CC=C(C=C1)C2=NC(=S)NN2
Structure:

CAS RN: 34334-28-6
CAS Name: 5-phenyl-1,2-dihydro-1,2,4-triazole-3-thione
OPENEYE Name: 5-phenyl-1,2-dihydro-1,2,4-triazole-3-thione
IUPAC Name: 5-phenyl-1,2-dihydro-1,2,4-triazole-3-thione
SYSTEMATIC NAME: 5-phenyl-1,2-dihydro-1,2,4-triazole-3-thione
MOLECULAR FORMULA: C8H7N3S
MOLECULAR WEIGHT: 177.22628
SMILES: C1=CC=C(C=C1)C2=NC(=S)NN2
Structure:

CAS RN: 22123-11-1
CAS Name: 2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
OPENEYE Name: 2-oxo-6-(2-thienyl)-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
IUPAC Name: 2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SYSTEMATIC NAME: 2-oxidanylidene-6-thiophen-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
MOLECULAR FORMULA: C11H5F3N2OS
MOLECULAR WEIGHT: 270.23041
SMILES: C1=CSC(=C1)C2=CC(=C(C(=O)N2)C#N)C(F)(F)F
Structure:

CAS RN: 52788-78-0
CAS Name: 1-(3-amino-4,6-dimethyl-2-thieno[2,3-b]pyridinyl)ethanone
OPENEYE Name: 1-(3-amino-4,6-dimethyl-thieno[2,3-b]pyridin-2-yl)ethanone
IUPAC Name: 1-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)ethanone
SYSTEMATIC NAME: 1-(3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridin-2-yl)ethanone
MOLECULAR FORMULA: C11H12N2OS
MOLECULAR WEIGHT: 220.29078
SMILES: CC1=CC(=NC2=C1C(=C(S2)C(=O)C)N)C
Structure:

CAS RN: 52505-42-7
CAS Name: 1-(3-amino-4,6-dimethyl-2-thieno[2,3-b]pyridinyl)ethanone
OPENEYE Name: 1-(3-amino-4,6-dimethyl-thieno[2,3-b]pyridin-2-yl)ethanone
IUPAC Name: 1-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)ethanone
SYSTEMATIC NAME: 1-(3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridin-2-yl)ethanone
MOLECULAR FORMULA: C11H12N2OS
MOLECULAR WEIGHT: 220.29078
SMILES: CC1=CC(=NC2=C1C(=C(S2)C(=O)C)N)C
Structure:

CAS RN: 5562-53-8
CAS Name: (5Z)-5-[(3-hydroxyphenyl)methylidene]-2-(4-morpholinyl)-4-thiazolone
OPENEYE Name: (5Z)-5-[(3-hydroxyphenyl)methylene]-2-morpholino-thiazol-4-one
IUPAC Name: (5Z)-5-[(3-hydroxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SYSTEMATIC NAME: (5Z)-5-[(3-hydroxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
MOLECULAR FORMULA: C14H14N2O3S
MOLECULAR WEIGHT: 290.33756
SMILES: C1COCCN1C2=NC(=O)/C(=C/C3=CC(=CC=C3)O)/S2
Structure:

CAS RN: 5334-56-5
CAS Name: (1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-one
OPENEYE Name: (1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-one
IUPAC Name: (1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-one
SYSTEMATIC NAME: (1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-one
MOLECULAR FORMULA: C8H14NO+
MOLECULAR WEIGHT: 140.20286
SMILES: C[NH+]1[C@@H]2CC[C@H]1CC(=O)C2
Structure:

CAS RN: 149-30-4
CAS Name: 3H-1,3-benzothiazole-2-thione
OPENEYE Name: 3H-1,3-benzothiazole-2-thione
IUPAC Name: 3H-1,3-benzothiazole-2-thione
SYSTEMATIC NAME: 3H-1,3-benzothiazole-2-thione
MOLECULAR FORMULA: C7H5NS2
MOLECULAR WEIGHT: 167.2513
SMILES: C1=CC=C2C(=C1)NC(=S)S2
Structure:

CAS RN: 112242-83-8
CAS Name: 3H-1,3-benzothiazole-2-thione
OPENEYE Name: 3H-1,3-benzothiazole-2-thione
IUPAC Name: 3H-1,3-benzothiazole-2-thione
SYSTEMATIC NAME: 3H-1,3-benzothiazole-2-thione
MOLECULAR FORMULA: C7H5NS2
MOLECULAR WEIGHT: 167.2513
SMILES: C1=CC=C2C(=C1)NC(=S)S2
Structure:

CAS RN: 119170-41-1
CAS Name: 3H-1,3-benzothiazole-2-thione
OPENEYE Name: 3H-1,3-benzothiazole-2-thione
IUPAC Name: 3H-1,3-benzothiazole-2-thione
SYSTEMATIC NAME: 3H-1,3-benzothiazole-2-thione
MOLECULAR FORMULA: C7H5NS2
MOLECULAR WEIGHT: 167.2513
SMILES: C1=CC=C2C(=C1)NC(=S)S2
Structure:

CAS RN: 12640-90-3
CAS Name: 3H-1,3-benzothiazole-2-thione
OPENEYE Name: 3H-1,3-benzothiazole-2-thione
IUPAC Name: 3H-1,3-benzothiazole-2-thione
SYSTEMATIC NAME: 3H-1,3-benzothiazole-2-thione
MOLECULAR FORMULA: C7H5NS2
MOLECULAR WEIGHT: 167.2513
SMILES: C1=CC=C2C(=C1)NC(=S)S2
Structure:

CAS RN: 1321-08-0
CAS Name: 3H-1,3-benzothiazole-2-thione
OPENEYE Name: 3H-1,3-benzothiazole-2-thione
IUPAC Name: 3H-1,3-benzothiazole-2-thione
SYSTEMATIC NAME: 3H-1,3-benzothiazole-2-thione
MOLECULAR FORMULA: C7H5NS2
MOLECULAR WEIGHT: 167.2513
SMILES: C1=CC=C2C(=C1)NC(=S)S2
Structure:

CAS RN: 4464-58-8
CAS Name: 3H-1,3-benzothiazole-2-thione
OPENEYE Name: 3H-1,3-benzothiazole-2-thione
IUPAC Name: 3H-1,3-benzothiazole-2-thione
SYSTEMATIC NAME: 3H-1,3-benzothiazole-2-thione
MOLECULAR FORMULA: C7H5NS2
MOLECULAR WEIGHT: 167.2513
SMILES: C1=CC=C2C(=C1)NC(=S)S2
Structure:

CAS RN: 55199-93-4
CAS Name: 3H-1,3-benzothiazole-2-thione
OPENEYE Name: 3H-1,3-benzothiazole-2-thione
IUPAC Name: 3H-1,3-benzothiazole-2-thione
SYSTEMATIC NAME: 3H-1,3-benzothiazole-2-thione
MOLECULAR FORMULA: C7H5NS2
MOLECULAR WEIGHT: 167.2513
SMILES: C1=CC=C2C(=C1)NC(=S)S2
Structure:

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