(2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 4-butylcyclohexane-1-carboxylate

Systemtic Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 4-butylcyclohexane-1-carboxylate Openeye Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid [2-tert-butyl-5-methyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (2-tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [2-tert-butyl-5-methyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C25H36N2O2S MolecularWeight: 428.63054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O2S/c1-6-7-11-19-14-16-20(17-15-19)24(28)29-23-22(30-21-12-9-8-10-13-21)18(2)26-27(23)25(3,4)5/h8-10,12-13,19-20H,6-7,11,14-17H2,1-5H3