[2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfanyl-pyrazol-3-yl] 3-cyclohexylpropanoate

Systemtic Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfanyl-pyrazol-3-yl] 3-cyclohexylpropanoate Openeye Name: [2-tert-butyl-5-methyl-4-(p-tolylsulfanyl)pyrazol-3-yl] 3-cyclohexylpropanoate CAS Name: 3-cyclohexylpropanoic acid [2-tert-butyl-5-methyl-4-[(4-methylphenyl)thio]-3-pyrazolyl] ester IUPAC Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfanylpyrazol-3-yl] 3-cyclohexylpropanoate Traditional Name: 3-cyclohexylpropionic acid [2-tert-butyl-5-methyl-4-(p-tolylthio)pyrazol-3-yl] ester Formula: C24H34N2O2S MolecularWeight: 414.60396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(C)(C)C)OC(=O)CCC3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(C)(C)C)OC(=O)CCC3CCCCC3

InChI

InChI=1S/C24H34N2O2S/c1-17-11-14-20(15-12-17)29-22-18(2)25-26(24(3,4)5)23(22)28-21(27)16-13-19-9-7-6-8-10-19/h11-12,14-15,19H,6-10,13,16H2,1-5H3