[2-(3-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl] (E)-2-phenylethenesulfonate

Systemtic Name: [2-(3-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl] (E)-2-phenylethenesulfonate Openeye Name: [2-(m-tolyl)-5-(trifluoromethyl)pyrazol-3-yl] (E)-2-phenylethenesulfonate CAS Name: (E)-2-phenylethenesulfonic acid [2-(3-methylphenyl)-5-(trifluoromethyl)-3-pyrazolyl] ester IUPAC Name: [2-(3-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl] (E)-2-phenylethenesulfonate Traditional Name: (E)-2-phenylethenesulfonic acid [2-(m-tolyl)-5-(trifluoromethyl)pyrazol-3-yl] ester Formula: C19H15F3N2O3S MolecularWeight: 408.39421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=N2)C(F)(F)F)OS(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=N2)C(F)(F)F)OS(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C19H15F3N2O3S/c1-14-6-5-9-16(12-14)24-18(13-17(23-24)19(20,21)22)27-28(25,26)11-10-15-7-3-2-4-8-15/h2-13H,1H3/b11-10+