Friday, April 27, 2012

http://ChemLookup.com Compounds




CAS RN: 6238-80-8
CAS Name: 1-[2-methyl-4-phenyl-6-(trifluoromethoxy)-3-quinolinyl]ethanone
OPENEYE Name: 1-[2-methyl-4-phenyl-6-(trifluoromethoxy)-3-quinolyl]ethanone
IUPAC Name: 1-[2-methyl-4-phenyl-6-(trifluoromethoxy)quinolin-3-yl]ethanone
SYSTEMATIC NAME: 1-[2-methyl-4-phenyl-6-(trifluoromethyloxy)quinolin-3-yl]ethanone
MOLECULAR FORMULA: C19H14F3NO2
MOLECULAR WEIGHT: 345.31517
SMILES: CC1=C(C(=C2C=C(C=CC2=N1)OC(F)(F)F)C3=CC=CC=C3)C(=O)C
Structure:

CAS RN: 143949-72-8
CAS Name: 3-(1H-benzimidazol-2-yl)propanehydrazide
OPENEYE Name: 3-(1H-benzimidazol-2-yl)propanehydrazide
IUPAC Name: 3-(1H-benzimidazol-2-yl)propanehydrazide
SYSTEMATIC NAME: 3-(1H-benzimidazol-2-yl)propanehydrazide
MOLECULAR FORMULA: C10H12N4O
MOLECULAR WEIGHT: 204.22848
SMILES: C1=CC=C2C(=C1)NC(=N2)CCC(=O)NN
Structure:

CAS RN: 5094-42-8
CAS Name: 2,3-dimethyl-1H-indole-5-carbohydrazide
OPENEYE Name: 2,3-dimethyl-1H-indole-5-carbohydrazide
IUPAC Name: 2,3-dimethyl-1H-indole-5-carbohydrazide
SYSTEMATIC NAME: 2,3-dimethyl-1H-indole-5-carbohydrazide
MOLECULAR FORMULA: C11H13N3O
MOLECULAR WEIGHT: 203.24042
SMILES: CC1=C(NC2=C1C=C(C=C2)C(=O)NN)C
Structure:

CAS RN: 5897-48-3
CAS Name: 2-[[(2-fluorophenyl)-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid
OPENEYE Name: 2-[(2-fluorobenzoyl)amino]-4-phenyl-thiophene-3-carboxylic acid
IUPAC Name: 2-[(2-fluorobenzoyl)amino]-4-phenylthiophene-3-carboxylic acid
SYSTEMATIC NAME: 2-[(2-fluorophenyl)carbonylamino]-4-phenyl-thiophene-3-carboxylic acid
MOLECULAR FORMULA: C18H12FNO3S
MOLECULAR WEIGHT: 341.356183
SMILES: C1=CC=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)C3=CC=CC=C3F
Structure:

CAS RN: 6056-27-5
CAS Name: 2-(4-methoxyphenyl)-3-(3-pyridinyl)-4-quinazolinone
OPENEYE Name: 2-(4-methoxyphenyl)-3-(3-pyridyl)quinazolin-4-one
IUPAC Name: 2-(4-methoxyphenyl)-3-pyridin-3-ylquinazolin-4-one
SYSTEMATIC NAME: 2-(4-methoxyphenyl)-3-pyridin-3-yl-quinazolin-4-one
MOLECULAR FORMULA: C20H15N3O2
MOLECULAR WEIGHT: 329.352
SMILES: COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2C4=CN=CC=C4
Structure:

CAS RN: 6055-75-0
CAS Name: 2-(4-methylphenyl)-3-(2-pyridinyl)-4-quinazolinone
OPENEYE Name: 2-(p-tolyl)-3-(2-pyridyl)quinazolin-4-one
IUPAC Name: 2-(4-methylphenyl)-3-pyridin-2-ylquinazolin-4-one
SYSTEMATIC NAME: 2-(4-methylphenyl)-3-pyridin-2-yl-quinazolin-4-one
MOLECULAR FORMULA: C20H15N3O
MOLECULAR WEIGHT: 313.3526
SMILES: CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=N4
Structure:

CAS RN: 6061-32-1
CAS Name: 2-benzamido-N-(3-methyl-2-pyridinyl)benzamide
OPENEYE Name: 2-benzamido-N-(3-methyl-2-pyridyl)benzamide
IUPAC Name: 2-benzamido-N-(3-methylpyridin-2-yl)benzamide
SYSTEMATIC NAME: 2-benzamido-N-(3-methylpyridin-2-yl)benzamide
MOLECULAR FORMULA: C20H17N3O2
MOLECULAR WEIGHT: 331.36788
SMILES: CC1=C(N=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3
Structure:

CAS RN: 38163-38-1
CAS Name: 2-[(2-methyl-1-oxopropyl)amino]benzoic acid methyl ester
OPENEYE Name: methyl 2-(2-methylpropanoylamino)benzoate
IUPAC Name: methyl 2-(2-methylpropanoylamino)benzoate
SYSTEMATIC NAME: methyl 2-(2-methylpropanoylamino)benzoate
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 221.2524
SMILES: CC(C)C(=O)NC1=CC=CC=C1C(=O)OC
Structure:

CAS RN: 5565-39-9
CAS Name: 2-[(2-methyl-1-oxopropyl)amino]benzoic acid methyl ester
OPENEYE Name: methyl 2-(2-methylpropanoylamino)benzoate
IUPAC Name: methyl 2-(2-methylpropanoylamino)benzoate
SYSTEMATIC NAME: methyl 2-(2-methylpropanoylamino)benzoate
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 221.2524
SMILES: CC(C)C(=O)NC1=CC=CC=C1C(=O)OC
Structure:

CAS RN: 6430-88-2
CAS Name: 3-amino-2-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinone
OPENEYE Name: 3-amino-2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one
IUPAC Name: 3-amino-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 3-azanyl-2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C13H11N3OS
MOLECULAR WEIGHT: 257.31094
SMILES: CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N1N
Structure:

CAS RN: 6184-48-1
CAS Name: N-[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]-2-thiophenecarboxamide
OPENEYE Name: N-(4-methylpiperidine-1-carbothioyl)thiophene-2-carboxamide
IUPAC Name: N-(4-methylpiperidine-1-carbothioyl)thiophene-2-carboxamide
SYSTEMATIC NAME: N-(4-methylpiperidin-1-yl)carbothioylthiophene-2-carboxamide
MOLECULAR FORMULA: C12H16N2OS2
MOLECULAR WEIGHT: 268.39824
SMILES: CC1CCN(CC1)C(=S)NC(=O)C2=CC=CS2
Structure:

CAS RN: 66947-92-0
CAS Name: 2-amino-1,3-benzothiazole-6-carboxylic acid methyl ester
OPENEYE Name: methyl 2-amino-1,3-benzothiazole-6-carboxylate
IUPAC Name: methyl 2-amino-1,3-benzothiazole-6-carboxylate
SYSTEMATIC NAME: methyl 2-azanyl-1,3-benzothiazole-6-carboxylate
MOLECULAR FORMULA: C9H8N2O2S
MOLECULAR WEIGHT: 208.23702
SMILES: COC(=O)C1=CC2=C(C=C1)N=C(S2)N
Structure:

CAS RN: 435345-12-3
CAS Name: N-(3-furanylmethyl)cyclohexanamine
OPENEYE Name: N-(3-furylmethyl)cyclohexanamine
IUPAC Name: N-(furan-3-ylmethyl)cyclohexanamine
SYSTEMATIC NAME: N-(furan-3-ylmethyl)cyclohexanamine
MOLECULAR FORMULA: C11H17NO
MOLECULAR WEIGHT: 179.25878
SMILES: C1CCC(CC1)NCC2=COC=C2
Structure:

CAS RN: 5991-08-2
CAS Name: [4-[(3-chlorophenyl)methyl]-1-piperazinyl]-(4-methoxyphenyl)methanone
OPENEYE Name: [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
IUPAC Name: [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
SYSTEMATIC NAME: [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
MOLECULAR FORMULA: C19H21ClN2O2
MOLECULAR WEIGHT: 344.83524
SMILES: COC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl
Structure:

CAS RN: 5992-37-0
CAS Name: [4-[(3-fluorophenyl)methyl]-1-piperazinyl]-(4-methoxyphenyl)methanone
OPENEYE Name: [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
IUPAC Name: [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
SYSTEMATIC NAME: [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
MOLECULAR FORMULA: C19H21FN2O2
MOLECULAR WEIGHT: 328.380643
SMILES: COC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)F
Structure:

CAS RN: 5995-12-0
CAS Name: [4-[(2,3-dimethoxyphenyl)methyl]-1-piperazinyl]-(2-furanyl)methanone
OPENEYE Name: [4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-(2-furyl)methanone
IUPAC Name: [4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
SYSTEMATIC NAME: [4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
MOLECULAR FORMULA: C18H22N2O4
MOLECULAR WEIGHT: 330.37828
SMILES: COC1=CC=CC(=C1OC)CN2CCN(CC2)C(=O)C3=CC=CO3
Structure:

CAS RN: 5953-54-8
CAS Name: (3-chlorophenyl)-[4-[(2-methylphenyl)methyl]-1-piperazinyl]methanone
OPENEYE Name: (3-chlorophenyl)-[4-(o-tolylmethyl)piperazin-1-yl]methanone
IUPAC Name: (3-chlorophenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
SYSTEMATIC NAME: (3-chlorophenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
MOLECULAR FORMULA: C19H21ClN2O
MOLECULAR WEIGHT: 328.83584
SMILES: CC1=CC=CC=C1CN2CCN(CC2)C(=O)C3=CC(=CC=C3)Cl
Structure:

CAS RN: 6039-17-4
CAS Name: 1-cycloheptyl-4-(pyridin-4-ylmethyl)piperazine
OPENEYE Name: 1-cycloheptyl-4-(4-pyridylmethyl)piperazine
IUPAC Name: 1-cycloheptyl-4-(pyridin-4-ylmethyl)piperazine
SYSTEMATIC NAME: 1-cycloheptyl-4-(pyridin-4-ylmethyl)piperazine
MOLECULAR FORMULA: C17H27N3
MOLECULAR WEIGHT: 273.41638
SMILES: C1CCCC(CC1)N2CCN(CC2)CC3=CC=NC=C3
Structure:

CAS RN: 206555-52-4
CAS Name: 5-methyl-4-thiophen-2-yl-2-thiazolamine
OPENEYE Name: 5-methyl-4-(2-thienyl)thiazol-2-amine
IUPAC Name: 5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine
SYSTEMATIC NAME: 5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine
MOLECULAR FORMULA: C8H8N2S2
MOLECULAR WEIGHT: 196.29252
SMILES: CC1=C(N=C(S1)N)C2=CC=CS2
Structure:

CAS RN: 5823-30-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H13NO2S
MOLECULAR WEIGHT: 283.34492
SMILES: CC1=CC=CC=C1C2=NC3=C(C4=C(S3)CCC4)C(=O)O2
Structure:

CAS RN: 5900-31-2
CAS Name: 2-[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid
OPENEYE Name: 2-[[(E)-3-(2-furyl)prop-2-enoyl]amino]-4-(2-thienyl)thiophene-3-carboxylic acid
IUPAC Name: 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-4-thiophen-2-ylthiophene-3-carboxylic acid
SYSTEMATIC NAME: 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-4-thiophen-2-yl-thiophene-3-carboxylic acid
MOLECULAR FORMULA: C16H11NO4S2
MOLECULAR WEIGHT: 345.39284
SMILES: C1=COC(=C1)/C=C/C(=O)NC2=C(C(=CS2)C3=CC=CS3)C(=O)O
Structure:

CAS RN: 128501-84-8
CAS Name: 4-methoxy-3-(1-pyrrolidinylmethyl)benzaldehyde
OPENEYE Name: 4-methoxy-3-(pyrrolidin-1-ylmethyl)benzaldehyde
IUPAC Name: 4-methoxy-3-(pyrrolidin-1-ylmethyl)benzaldehyde
SYSTEMATIC NAME: 4-methoxy-3-(pyrrolidin-1-ylmethyl)benzaldehyde
MOLECULAR FORMULA: C13H17NO2
MOLECULAR WEIGHT: 219.27958
SMILES: COC1=C(C=C(C=C1)C=O)CN2CCCC2
Structure:

CAS RN: 425646-58-8
CAS Name: 2-[4-[(cyclohexylamino)methyl]-2-methoxyphenoxy]acetamide
OPENEYE Name: 2-[4-[(cyclohexylamino)methyl]-2-methoxy-phenoxy]acetamide
IUPAC Name: 2-[4-[(cyclohexylamino)methyl]-2-methoxyphenoxy]acetamide
SYSTEMATIC NAME: 2-[4-[(cyclohexylamino)methyl]-2-methoxy-phenoxy]ethanamide
MOLECULAR FORMULA: C16H24N2O3
MOLECULAR WEIGHT: 292.37336
SMILES: COC1=C(C=CC(=C1)CNC2CCCCC2)OCC(=O)N
Structure:

CAS RN: 436088-37-8
CAS Name: N1-[(2-methoxyphenyl)methyl]-N4,N4-dimethylbenzene-1,4-diamine
OPENEYE Name: N1-[(2-methoxyphenyl)methyl]-N4,N4-dimethyl-benzene-1,4-diamine
IUPAC Name: 1-N-[(2-methoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
SYSTEMATIC NAME: N1-[(2-methoxyphenyl)methyl]-N4,N4-dimethyl-benzene-1,4-diamine
MOLECULAR FORMULA: C16H20N2O
MOLECULAR WEIGHT: 256.3428
SMILES: CN(C)C1=CC=C(C=C1)NCC2=CC=CC=C2OC
Structure:

CAS RN: 31699-14-6
CAS Name: 4-(4-iodophenyl)-2-thiazolamine
OPENEYE Name: 4-(4-iodophenyl)thiazol-2-amine
IUPAC Name: 4-(4-iodophenyl)-1,3-thiazol-2-amine
SYSTEMATIC NAME: 4-(4-iodophenyl)-1,3-thiazol-2-amine
MOLECULAR FORMULA: C9H7IN2S
MOLECULAR WEIGHT: 302.13475
SMILES: C1=CC(=CC=C1C2=CSC(=N2)N)I
Structure:

CAS RN: 24775-57-3
CAS Name: 1-(1-naphthalenyl)-3-phenylthiourea
OPENEYE Name: 1-(1-naphthyl)-3-phenyl-thiourea
IUPAC Name: 1-naphthalen-1-yl-3-phenylthiourea
SYSTEMATIC NAME: 1-naphthalen-1-yl-3-phenyl-thiourea
MOLECULAR FORMULA: C17H14N2S
MOLECULAR WEIGHT: 278.37146
SMILES: C1=CC=C(C=C1)NC(=S)NC2=CC=CC3=CC=CC=C32
Structure:

CAS RN: 5856-52-0
CAS Name: N2-phenylbenzimidazole-1,2-diamine
OPENEYE Name: N2-phenylbenzimidazole-1,2-diamine
IUPAC Name: 2-N-phenylbenzimidazole-1,2-diamine
SYSTEMATIC NAME: N2-phenylbenzimidazole-1,2-diamine
MOLECULAR FORMULA: C13H12N4
MOLECULAR WEIGHT: 224.26118
SMILES: C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N2N
Structure:

CAS RN: 6062-41-5
CAS Name: N-(2-furanylmethyl)-3-oxo-2-benzo[f][1]benzopyrancarboxamide
OPENEYE Name: N-(2-furylmethyl)-3-oxo-benzo[f]chromene-2-carboxamide
IUPAC Name: N-(furan-2-ylmethyl)-3-oxobenzo[f]chromene-2-carboxamide
SYSTEMATIC NAME: N-(furan-2-ylmethyl)-3-oxidanylidene-benzo[f]chromene-2-carboxamide
MOLECULAR FORMULA: C19H13NO4
MOLECULAR WEIGHT: 319.31082
SMILES: C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O3)C(=O)NCC4=CC=CO4
Structure:

CAS RN: 5648-17-9
CAS Name: 1,5-dimethyl-3,7-bis(phenylmethyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
OPENEYE Name: 3,7-dibenzyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
IUPAC Name: 3,7-dibenzyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
SYSTEMATIC NAME: 1,5-dimethyl-3,7-bis(phenylmethyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
MOLECULAR FORMULA: C23H28N2O
MOLECULAR WEIGHT: 348.48122
SMILES: CC12CN(CC(C1=O)(CN(C2)CC3=CC=CC=C3)C)CC4=CC=CC=C4
Structure:

CAS RN: 32515-07-4
CAS Name: 5-phenyl-3-(phenylmethyl)-4-triazolamine
OPENEYE Name: 3-benzyl-5-phenyl-triazol-4-amine
IUPAC Name: 3-benzyl-5-phenyltriazol-4-amine
SYSTEMATIC NAME: 5-phenyl-3-(phenylmethyl)-1,2,3-triazol-4-amine
MOLECULAR FORMULA: C15H14N4
MOLECULAR WEIGHT: 250.29846
SMILES: C1=CC=C(C=C1)CN2C(=C(N=N2)C3=CC=CC=C3)N
Structure:

CAS RN: 129602-94-4
CAS Name: 2-[4-(propan-2-ylthio)phenyl]acetamide
OPENEYE Name: 2-(4-isopropylsulfanylphenyl)acetamide
IUPAC Name: 2-(4-propan-2-ylsulfanylphenyl)acetamide
SYSTEMATIC NAME: 2-(4-propan-2-ylsulfanylphenyl)ethanamide
MOLECULAR FORMULA: C11H15NOS
MOLECULAR WEIGHT: 209.3079
SMILES: CC(C)SC1=CC=C(C=C1)CC(=O)N
Structure:

CAS RN: 131028-34-7
CAS Name: 3-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]benzoic acid methyl ester
OPENEYE Name: methyl 3-[2-(4-benzylpiperazin-1-yl)ethyl]benzoate
IUPAC Name: methyl 3-[2-(4-benzylpiperazin-1-yl)ethyl]benzoate
SYSTEMATIC NAME: methyl 3-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]benzoate
MOLECULAR FORMULA: C21H26N2O2
MOLECULAR WEIGHT: 338.44334
SMILES: COC(=O)C1=CC(=CC=C1)CCN2CCN(CC2)CC3=CC=CC=C3
Structure:

CAS RN: 112930-60-6
CAS Name: (3E)-3-(2-methyl-6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid
OPENEYE Name: (3E)-3-(2-methyl-6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid
IUPAC Name: (3E)-3-(2-methyl-6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid
SYSTEMATIC NAME: (3E)-3-(2-methyl-6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid
MOLECULAR FORMULA: C18H16O2S
MOLECULAR WEIGHT: 296.38344
SMILES: CC1=CC\2=C(C=C1)SCC3=CC=CC=C3/C2=C\CC(=O)O
Structure:

CAS RN: 90717-17-2
CAS Name: (2-chlorophenyl)-(1-hydroxycyclopentyl)methanone
OPENEYE Name: (2-chlorophenyl)-(1-hydroxycyclopentyl)methanone
IUPAC Name: (2-chlorophenyl)-(1-hydroxycyclopentyl)methanone
SYSTEMATIC NAME: (2-chlorophenyl)-(1-oxidanylcyclopentyl)methanone
MOLECULAR FORMULA: C12H13ClO2
MOLECULAR WEIGHT: 224.68342
SMILES: C1CCC(C1)(C(=O)C2=CC=CC=C2Cl)O
Structure:

CAS RN: 40101-51-7
CAS Name: 3-(1,3-dioxo-2-isoindolyl)benzoic acid
OPENEYE Name: 3-(1,3-dioxoisoindolin-2-yl)benzoic acid
IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)benzoic acid
SYSTEMATIC NAME: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]benzoic acid
MOLECULAR FORMULA: C15H9NO4
MOLECULAR WEIGHT: 267.23626
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)O
Structure:

CAS RN: 61727-07-9
CAS Name: 2-(methylthio)-5-(phenylthio)-4-pyrimidinecarboxylic acid
OPENEYE Name: 2-methylsulfanyl-5-phenylsulfanyl-pyrimidine-4-carboxylic acid
IUPAC Name: 2-methylsulfanyl-5-phenylsulfanylpyrimidine-4-carboxylic acid
SYSTEMATIC NAME: 2-methylsulfanyl-5-phenylsulfanyl-pyrimidine-4-carboxylic acid
MOLECULAR FORMULA: C12H10N2O2S2
MOLECULAR WEIGHT: 278.35
SMILES: CSC1=NC=C(C(=N1)C(=O)O)SC2=CC=CC=C2
Structure:

CAS RN: 2894-71-5
CAS Name: 7-chloro-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepine-2-thione
OPENEYE Name: 7-chloro-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepine-2-thione
IUPAC Name: 7-chloro-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepine-2-thione
SYSTEMATIC NAME: 7-chloranyl-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepine-2-thione
MOLECULAR FORMULA: C15H10Cl2N2S
MOLECULAR WEIGHT: 321.2243
SMILES: C1C(=S)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3Cl
Structure:

CAS RN: 33301-24-5
CAS Name: (3E)-3-(5,5-dioxo-6H-benzo[c][1]benzothiepin-11-ylidene)-N,N-dimethyl-1-propanamine
OPENEYE Name: (3E)-3-(5,5-dioxo-6H-benzo[c][1]benzothiepin-11-ylidene)-N,N-dimethyl-propan-1-amine
IUPAC Name: (3E)-3-(5,5-dioxo-6H-benzo[c][1]benzothiepin-11-ylidene)-N,N-dimethylpropan-1-amine
SYSTEMATIC NAME: (3E)-3-[5,5-bis(oxidanylidene)-6H-benzo[c][1]benzothiepin-11-ylidene]-N,N-dimethyl-propan-1-amine
MOLECULAR FORMULA: C19H21NO2S
MOLECULAR WEIGHT: 327.44054
SMILES: CN(C)CC/C=C/1\C2=CC=CC=C2CS(=O)(=O)C3=CC=CC=C31
Structure:

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