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

Systemtic Name: [2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-3-yl] 5-bromanyl-2-chloranyl-benzoate Openeye Name: [2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-3-yl] 5-bromo-2-chloro-benzoate CAS Name: 5-bromo-2-chlorobenzoic 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] 5-bromo-2-chlorobenzoate Traditional Name: 5-bromo-2-chloro-benzoic acid [2-tert-butyl-4-[(4-chlorophenyl)thio]-5-methyl-pyrazol-3-yl] ester Formula: C21H19BrCl2N2O2S MolecularWeight: 514.26276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrCl2N2O2S/c1-12-18(29-15-8-6-14(23)7-9-15)19(26(25-12)21(2,3)4)28-20(27)16-11-13(22)5-10-17(16)24/h5-11H,1-4H3