[2-(3-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-(3-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [2-(m-tolyl)-5-(trifluoromethyl)pyrazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(3-methylphenyl)-5-(trifluoromethyl)-3-pyrazolyl] ester IUPAC Name: [2-(3-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(m-tolyl)-5-(trifluoromethyl)pyrazol-3-yl] ester Formula: C18H15F3N2O3S MolecularWeight: 396.38351

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN2C3=CC=CC(=C3)C)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN2C3=CC=CC(=C3)C)C(F)(F)F

InChI

InChI=1S/C18H15F3N2O3S/c1-12-6-8-15(9-7-12)27(24,25)26-17-11-16(18(19,20)21)22-23(17)14-5-3-4-13(2)10-14/h3-11H,1-2H3