5-cyclopropyl-4-phenyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-cyclopropyl-4-phenyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 5-cyclopropyl-4-phenyl-2-[[3-(trifluoromethyl)-1-piperidyl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-cyclopropyl-4-phenyl-2-[[3-(trifluoromethyl)-1-piperidinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-cyclopropyl-4-phenyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 5-cyclopropyl-4-phenyl-2-[[3-(trifluoromethyl)piperidino]methyl]-1,2,4-triazole-3-thione Formula: C18H21F3N4S MolecularWeight: 382.44635

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CN2C(=S)N(C(=N2)C3CC3)C4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

C1CC(CN(C1)CN2C(=S)N(C(=N2)C3CC3)C4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C18H21F3N4S/c19-18(20,21)14-5-4-10-23(11-14)12-24-17(26)25(15-6-2-1-3-7-15)16(22-24)13-8-9-13/h1-3,6-7,13-14H,4-5,8-12H2