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

Systemtic Name: 4-(4-fluorophenyl)-5-(phenylmethyl)-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-benzyl-4-(4-fluorophenyl)-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-(4-fluorophenyl)-5-(phenylmethyl)-2-(1-piperidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-benzyl-4-(4-fluorophenyl)-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-benzyl-4-(4-fluorophenyl)-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C21H24FN4S+ MolecularWeight: 383.505463

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C(=S)N(C(=N2)CC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC[NH+](CC1)CN2C(=S)N(C(=N2)CC3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H23FN4S/c22-18-9-11-19(12-10-18)26-20(15-17-7-3-1-4-8-17)23-25(21(26)27)16-24-13-5-2-6-14-24/h1,3-4,7-12H,2,5-6,13-16H2/p+1