[5-(4-bromophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl 4-chloranylbenzoate

Systemtic Name: [5-(4-bromophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl 4-chloranylbenzoate Openeye Name: [5-(4-bromophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [5-[(4-bromophenyl)thio]-1-methyl-3-(trifluoromethyl)-4-pyrazolyl]methyl ester IUPAC Name: [5-(4-bromophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [5-[(4-bromophenyl)thio]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl ester Formula: C19H13BrClF3N2O2S MolecularWeight: 505.73593

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(F)(F)F)COC(=O)C2=CC=C(C=C2)Cl)SC3=CC=C(C=C3)Br

Isomeric SMILES

CN1C(=C(C(=N1)C(F)(F)F)COC(=O)C2=CC=C(C=C2)Cl)SC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H13BrClF3N2O2S/c1-26-17(29-14-8-4-12(20)5-9-14)15(16(25-26)19(22,23)24)10-28-18(27)11-2-6-13(21)7-3-11/h2-9H,10H2,1H3