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

Systemtic Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfanyl-pyrazol-3-yl] 5-bromanyl-2-chloranyl-benzoate Openeye Name: [2-tert-butyl-5-methyl-4-(p-tolylsulfanyl)pyrazol-3-yl] 5-bromo-2-chloro-benzoate CAS Name: 5-bromo-2-chlorobenzoic 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] 5-bromo-2-chlorobenzoate Traditional Name: 5-bromo-2-chloro-benzoic acid [2-tert-butyl-5-methyl-4-(p-tolylthio)pyrazol-3-yl] ester Formula: C22H22BrClN2O2S MolecularWeight: 493.84428

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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)C3=C(C=CC(=C3)Br)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(C)(C)C)OC(=O)C3=C(C=CC(=C3)Br)Cl

InChI

InChI=1S/C22H22BrClN2O2S/c1-13-6-9-16(10-7-13)29-19-14(2)25-26(22(3,4)5)20(19)28-21(27)17-12-15(23)8-11-18(17)24/h6-12H,1-5H3