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

Systemtic Name: [2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-3-yl] 3,4-dimethylbenzoate Openeye Name: [2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-3-yl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic 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] 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [2-tert-butyl-4-[(4-chlorophenyl)thio]-5-methyl-pyrazol-3-yl] ester Formula: C23H25ClN2O2S MolecularWeight: 428.9748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=C(C(=NN2C(C)(C)C)C)SC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=C(C(=NN2C(C)(C)C)C)SC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C23H25ClN2O2S/c1-14-7-8-17(13-15(14)2)22(27)28-21-20(16(3)25-26(21)23(4,5)6)29-19-11-9-18(24)10-12-19/h7-13H,1-6H3