5-methylsulfonyl-2-[3-(trifluoromethyl)-5-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-1-yl]pyridine

Systemtic Name: 5-methylsulfonyl-2-[3-(trifluoromethyl)-5-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-1-yl]pyridine Openeye Name: 5-methylsulfonyl-2-[5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine CAS Name: 5-methylsulfonyl-2-[5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine IUPAC Name: 5-methylsulfonyl-2-[5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine Traditional Name: 5-mesyl-2-[5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine Formula: C16H10F6N4O3S MolecularWeight: 452.331019

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)OC(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C16H10F6N4O3S/c1-30(27,28)11-6-7-12(23-8-11)26-13(24-14(25-26)15(17,18)19)9-2-4-10(5-3-9)29-16(20,21)22/h2-8H,1H3