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

Systemtic Name: [2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-3-yl] 2-bromanylbenzoate Openeye Name: [2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-3-yl] 2-bromobenzoate CAS Name: 2-bromobenzoic 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-bromobenzoate Traditional Name: 2-bromobenzoic acid [2-tert-butyl-4-[(4-chlorophenyl)thio]-5-methyl-pyrazol-3-yl] ester Formula: C21H20BrClN2O2S MolecularWeight: 479.8177

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=C(C=C2)Cl)OC(=O)C3=CC=CC=C3Br)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=C(C=C2)Cl)OC(=O)C3=CC=CC=C3Br)C(C)(C)C

InChI

InChI=1S/C21H20BrClN2O2S/c1-13-18(28-15-11-9-14(23)10-12-15)19(25(24-13)21(2,3)4)27-20(26)16-7-5-6-8-17(16)22/h5-12H,1-4H3