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

Systemtic Name: [2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-3-yl] 2-ethylbutanoate Openeye Name: [2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-3-yl] 2-ethylbutanoate CAS Name: 2-ethylbutanoic 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] 2-ethylbutanoate Traditional Name: 2-ethylbutyric acid [2-tert-butyl-4-[(4-chlorophenyl)thio]-5-methyl-pyrazol-3-yl] ester Formula: C20H27ClN2O2S MolecularWeight: 394.95858

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)OC1=C(C(=NN1C(C)(C)C)C)SC2=CC=C(C=C2)Cl

Isomeric SMILES

CCC(CC)C(=O)OC1=C(C(=NN1C(C)(C)C)C)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H27ClN2O2S/c1-7-14(8-2)19(24)25-18-17(13(3)22-23(18)20(4,5)6)26-16-11-9-15(21)10-12-16/h9-12,14H,7-8H2,1-6H3