[4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] cyclopentanecarboxylate

Systemtic Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] cyclopentanecarboxylate Openeye Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] cyclopentanecarboxylate CAS Name: cyclopentanecarboxylic acid [4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenylpyrazol-3-yl] cyclopentanecarboxylate Traditional Name: cyclopentanecarboxylic acid [4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-pyrazol-3-yl] ester Formula: C22H21ClN2O2S MolecularWeight: 412.93234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=C(C=C2)Cl)OC(=O)C3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=C(C=C2)Cl)OC(=O)C3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H21ClN2O2S/c1-15-20(28-19-13-11-17(23)12-14-19)21(27-22(26)16-7-5-6-8-16)25(24-15)18-9-3-2-4-10-18/h2-4,9-14,16H,5-8H2,1H3