[4-cyano-2-methyl-5-(trifluoromethyl)pyrazol-3-yl] benzenesulfonate

Systemtic Name: [4-cyano-2-methyl-5-(trifluoromethyl)pyrazol-3-yl] benzenesulfonate Openeye Name: [4-cyano-2-methyl-5-(trifluoromethyl)pyrazol-3-yl] benzenesulfonate CAS Name: benzenesulfonic acid [4-cyano-2-methyl-5-(trifluoromethyl)-3-pyrazolyl] ester IUPAC Name: [4-cyano-2-methyl-5-(trifluoromethyl)pyrazol-3-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-cyano-2-methyl-5-(trifluoromethyl)pyrazol-3-yl] ester Formula: C12H8F3N3O3S MolecularWeight: 331.27043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(F)(F)F)C#N)OS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CN1C(=C(C(=N1)C(F)(F)F)C#N)OS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H8F3N3O3S/c1-18-11(9(7-16)10(17-18)12(13,14)15)21-22(19,20)8-5-3-2-4-6-8/h2-6H,1H3