[4-(2,4-dichlorophenyl)carbonyl-2-methyl-5-(trifluoromethyl)pyrazol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [4-(2,4-dichlorophenyl)carbonyl-2-methyl-5-(trifluoromethyl)pyrazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [4-(2,4-dichlorobenzoyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(2,4-dichlorophenyl)-oxomethyl]-2-methyl-5-(trifluoromethyl)-3-pyrazolyl] ester IUPAC Name: [4-(2,4-dichlorobenzoyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(2,4-dichlorobenzoyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl] ester Formula: C19H13Cl2F3N2O4S MolecularWeight: 493.28373

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13Cl2F3N2O4S/c1-10-3-6-12(7-4-10)31(28,29)30-18-15(17(19(22,23)24)25-26(18)2)16(27)13-8-5-11(20)9-14(13)21/h3-9H,1-2H3