3-(piperidin-1-ium-1-ylmethyl)-4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(piperidin-1-ium-1-ylmethyl)-4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(piperidin-1-ium-1-ylmethyl)-4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-(1-piperidin-1-iumylmethyl)-4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(piperidin-1-ium-1-ylmethyl)-4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione Traditional Name: 3-(piperidin-1-ium-1-ylmethyl)-4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione Formula: C15H18F3N4S+ MolecularWeight: 343.39043

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=NNC(=S)N2C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CC[NH+](CC1)CC2=NNC(=S)N2C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C15H17F3N4S/c16-15(17,18)11-6-2-3-7-12(11)22-13(19-20-14(22)23)10-21-8-4-1-5-9-21/h2-3,6-7H,1,4-5,8-10H2,(H,20,23)/p+1