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

Systemtic Name: 4-[2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzenecarbonitrile Openeye Name: 4-[2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzonitrile CAS Name: 4-[2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzonitrile IUPAC Name: 4-[2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzonitrile Traditional Name: 4-[2-(4-mesylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzonitrile Formula: C17H11F3N4O2S MolecularWeight: 392.35505

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2C(=NC(=N2)C(F)(F)F)C3=CC=C(C=C3)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C(=NC(=N2)C(F)(F)F)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H11F3N4O2S/c1-27(25,26)14-8-6-13(7-9-14)24-15(22-16(23-24)17(18,19)20)12-4-2-11(10-21)3-5-12/h2-9H,1H3