(5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 1-(4-chlorophenyl)cyclopentane-1-carboxylate

Systemtic Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 1-(4-chlorophenyl)cyclopentane-1-carboxylate Openeye Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 1-(4-chlorophenyl)cyclopentanecarboxylate CAS Name: 1-(4-chlorophenyl)-1-cyclopentanecarboxylic acid [5-methyl-2-phenyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (5-methyl-2-phenyl-4-phenylsulfanylpyrazol-3-yl) 1-(4-chlorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(4-chlorophenyl)cyclopentanecarboxylic acid [5-methyl-2-phenyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C28H25ClN2O2S MolecularWeight: 489.0283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3(CCCC3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3(CCCC3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C28H25ClN2O2S/c1-20-25(34-24-12-6-3-7-13-24)26(31(30-20)23-10-4-2-5-11-23)33-27(32)28(18-8-9-19-28)21-14-16-22(29)17-15-21/h2-7,10-17H,8-9,18-19H2,1H3