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

Systemtic Name: 4-[2-(5-methylsulfonylpyridin-2-yl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzenecarbonitrile Openeye Name: 4-[2-(5-methylsulfonyl-2-pyridyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzonitrile CAS Name: 4-[2-(5-methylsulfonyl-2-pyridinyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzonitrile IUPAC Name: 4-[2-(5-methylsulfonylpyridin-2-yl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzonitrile Traditional Name: 4-[2-(5-mesyl-2-pyridyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzonitrile Formula: C16H10F3N5O2S MolecularWeight: 393.34311

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10F3N5O2S/c1-27(25,26)12-6-7-13(21-9-12)24-14(22-15(23-24)16(17,18)19)11-4-2-10(8-20)3-5-11/h2-7,9H,1H3