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

Systemtic Name: [2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-3-yl] 4-phenylbutanoate Openeye Name: [2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-3-yl] 4-phenylbutanoate CAS Name: 4-phenylbutanoic 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-phenylbutanoate Traditional Name: 4-phenylbutyric acid [2-tert-butyl-4-[(4-chlorophenyl)thio]-5-methyl-pyrazol-3-yl] ester Formula: C24H27ClN2O2S MolecularWeight: 443.00138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=C(C=C2)Cl)OC(=O)CCCC3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=C(C=C2)Cl)OC(=O)CCCC3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C24H27ClN2O2S/c1-17-22(30-20-15-13-19(25)14-16-20)23(27(26-17)24(2,3)4)29-21(28)12-8-11-18-9-6-5-7-10-18/h5-7,9-10,13-16H,8,11-12H2,1-4H3