3-[5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine

Systemtic Name: 3-[5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine Openeye Name: 3-[5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine CAS Name: 3-[5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine IUPAC Name: 3-[5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine Traditional Name: 3-[5-(4-mesylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine Formula: C15H11F3N4O2S MolecularWeight: 368.33365

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=NN2C3=CN=CC=C3)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=NN2C3=CN=CC=C3)C(F)(F)F

InChI

InChI=1S/C15H11F3N4O2S/c1-25(23,24)12-6-4-10(5-7-12)13-20-14(15(16,17)18)21-22(13)11-3-2-8-19-9-11/h2-9H,1H3