[5-methyl-4-(4-methylphenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate

Systemtic Name: [5-methyl-4-(4-methylphenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate Openeye Name: [5-methyl-2-phenyl-4-(p-tolylsulfanyl)pyrazol-3-yl] 1-(4-chlorophenyl)cyclopentanecarboxylate CAS Name: 1-(4-chlorophenyl)-1-cyclopentanecarboxylic acid [5-methyl-4-[(4-methylphenyl)thio]-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(4-methylphenyl)sulfanyl-2-phenylpyrazol-3-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(4-chlorophenyl)cyclopentanecarboxylic acid [5-methyl-2-phenyl-4-(p-tolylthio)pyrazol-3-yl] ester Formula: C29H27ClN2O2S MolecularWeight: 503.05488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C3=CC=CC=C3)OC(=O)C4(CCCC4)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C3=CC=CC=C3)OC(=O)C4(CCCC4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H27ClN2O2S/c1-20-10-16-25(17-11-20)35-26-21(2)31-32(24-8-4-3-5-9-24)27(26)34-28(33)29(18-6-7-19-29)22-12-14-23(30)15-13-22/h3-5,8-17H,6-7,18-19H2,1-2H3