4-(4-fluorophenyl)-3-(piperidin-1-ium-1-ylmethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(4-fluorophenyl)-3-(piperidin-1-ium-1-ylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-fluorophenyl)-3-(piperidin-1-ium-1-ylmethyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-fluorophenyl)-3-(1-piperidin-1-iumylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-fluorophenyl)-3-(piperidin-1-ium-1-ylmethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-fluorophenyl)-3-(piperidin-1-ium-1-ylmethyl)-1H-1,2,4-triazole-5-thione Formula: C14H18FN4S+ MolecularWeight: 293.382923

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=NNC(=S)N2C3=CC=C(C=C3)F

Isomeric SMILES

C1CC[NH+](CC1)CC2=NNC(=S)N2C3=CC=C(C=C3)F

InChI

InChI=1S/C14H17FN4S/c15-11-4-6-12(7-5-11)19-13(16-17-14(19)20)10-18-8-2-1-3-9-18/h4-7H,1-3,8-10H2,(H,17,20)/p+1