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

Systemtic Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfanyl-pyrazol-3-yl] 3-cyclopentylpropanoate Openeye Name: [2-tert-butyl-5-methyl-4-(p-tolylsulfanyl)pyrazol-3-yl] 3-cyclopentylpropanoate CAS Name: 3-cyclopentylpropanoic 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-cyclopentylpropanoate Traditional Name: 3-cyclopentylpropionic acid [2-tert-butyl-5-methyl-4-(p-tolylthio)pyrazol-3-yl] ester Formula: C23H32N2O2S MolecularWeight: 400.57738

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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)CCC3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(C)(C)C)OC(=O)CCC3CCCC3

InChI

InChI=1S/C23H32N2O2S/c1-16-10-13-19(14-11-16)28-21-17(2)24-25(23(3,4)5)22(21)27-20(26)15-12-18-8-6-7-9-18/h10-11,13-14,18H,6-9,12,15H2,1-5H3