[5-methyl-4-(4-methylphenyl)sulfanyl-2-phenyl-pyrazol-3-yl] cyclohexanecarboxylate

Systemtic Name: [5-methyl-4-(4-methylphenyl)sulfanyl-2-phenyl-pyrazol-3-yl] cyclohexanecarboxylate Openeye Name: [5-methyl-2-phenyl-4-(p-tolylsulfanyl)pyrazol-3-yl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [5-methyl-4-[(4-methylphenyl)thio]-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(4-methylphenyl)sulfanyl-2-phenylpyrazol-3-yl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [5-methyl-2-phenyl-4-(p-tolylthio)pyrazol-3-yl] ester Formula: C24H26N2O2S MolecularWeight: 406.54044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C3=CC=CC=C3)OC(=O)C4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C3=CC=CC=C3)OC(=O)C4CCCCC4

InChI

InChI=1S/C24H26N2O2S/c1-17-13-15-21(16-14-17)29-22-18(2)25-26(20-11-7-4-8-12-20)23(22)28-24(27)19-9-5-3-6-10-19/h4,7-8,11-16,19H,3,5-6,9-10H2,1-2H3