[5-cyclopropyl-2-methyl-4-[2-methylsulfanyl-4-(trifluoromethyl)phenyl]carbonyl-pyrazol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [5-cyclopropyl-2-methyl-4-[2-methylsulfanyl-4-(trifluoromethyl)phenyl]carbonyl-pyrazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [5-cyclopropyl-2-methyl-4-[2-methylsulfanyl-4-(trifluoromethyl)benzoyl]pyrazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-cyclopropyl-2-methyl-4-[[2-(methylthio)-4-(trifluoromethyl)phenyl]-oxomethyl]-3-pyrazolyl] ester IUPAC Name: [5-cyclopropyl-2-methyl-4-[2-methylsulfanyl-4-(trifluoromethyl)benzoyl]pyrazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-cyclopropyl-2-methyl-4-[2-(methylthio)-4-(trifluoromethyl)benzoyl]pyrazol-3-yl] ester Formula: C23H21F3N2O4S2 MolecularWeight: 510.54905

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=NN2C)C3CC3)C(=O)C4=C(C=C(C=C4)C(F)(F)F)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=NN2C)C3CC3)C(=O)C4=C(C=C(C=C4)C(F)(F)F)SC

InChI

InChI=1S/C23H21F3N2O4S2/c1-13-4-9-16(10-5-13)34(30,31)32-22-19(20(14-6-7-14)27-28(22)2)21(29)17-11-8-15(23(24,25)26)12-18(17)33-3/h4-5,8-12,14H,6-7H2,1-3H3