[2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-3-yl] 4-butylcyclohexane-1-carboxylate

Systemtic Name: [2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-3-yl] 4-butylcyclohexane-1-carboxylate Openeye Name: [2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-3-yl] 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid [2-tert-butyl-4-[(4-chlorophenyl)thio]-5-methyl-3-pyrazolyl] ester IUPAC Name: [2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methylpyrazol-3-yl] 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [2-tert-butyl-4-[(4-chlorophenyl)thio]-5-methyl-pyrazol-3-yl] ester Formula: C25H35ClN2O2S MolecularWeight: 463.0756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)OC2=C(C(=NN2C(C)(C)C)C)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)OC2=C(C(=NN2C(C)(C)C)C)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H35ClN2O2S/c1-6-7-8-18-9-11-19(12-10-18)24(29)30-23-22(17(2)27-28(23)25(3,4)5)31-21-15-13-20(26)14-16-21/h13-16,18-19H,6-12H2,1-5H3