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

Systemtic Name: [5-methyl-4-(4-methylphenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 4-butylcyclohexane-1-carboxylate Openeye Name: [5-methyl-2-phenyl-4-(p-tolylsulfanyl)pyrazol-3-yl] 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-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] 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [5-methyl-2-phenyl-4-(p-tolylthio)pyrazol-3-yl] ester Formula: C28H34N2O2S MolecularWeight: 462.64676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)SC4=CC=C(C=C4)C

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)SC4=CC=C(C=C4)C

InChI

InChI=1S/C28H34N2O2S/c1-4-5-9-22-14-16-23(17-15-22)28(31)32-27-26(33-25-18-12-20(2)13-19-25)21(3)29-30(27)24-10-7-6-8-11-24/h6-8,10-13,18-19,22-23H,4-5,9,14-17H2,1-3H3