5-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-isopropyl-3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]methylthio]-1H-1,2,4-triazole IUPAC Name: 5-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-isopropyl-3-[[2-(trifluoromethyl)benzyl]thio]-1H-1,2,4-triazole Formula: C13H14F3N3S MolecularWeight: 301.33057

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C13H14F3N3S/c1-8(2)11-17-12(19-18-11)20-7-9-5-3-4-6-10(9)13(14,15)16/h3-6,8H,7H2,1-2H3,(H,17,18,19)