4-methyl-5-[[2-(trifluoromethyl)quinolin-4-yl]sulfanylmethyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-methyl-5-[[2-(trifluoromethyl)quinolin-4-yl]sulfanylmethyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-methyl-5-[[2-(trifluoromethyl)-4-quinolyl]sulfanylmethyl]-1,2,4-triazole-3-thiolate CAS Name: 4-methyl-5-[[[2-(trifluoromethyl)-4-quinolinyl]thio]methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-methyl-5-[[2-(trifluoromethyl)quinolin-4-yl]sulfanylmethyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-methyl-5-[[[2-(trifluoromethyl)-4-quinolyl]thio]methyl]-1,2,4-triazole-3-thiolate Formula: C14H10F3N4S2- MolecularWeight: 355.38121

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1[S-])CSC2=CC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CN1C(=NN=C1[S-])CSC2=CC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C14H11F3N4S2/c1-21-12(19-20-13(21)22)7-23-10-6-11(14(15,16)17)18-9-5-3-2-4-8(9)10/h2-6H,7H2,1H3,(H,20,22)/p-1