5-(2-chlorophenyl)-4-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-(2-chlorophenyl)-4-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-(2-chlorophenyl)-4-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(2-chlorophenyl)-4-phenyl-2-(1-piperidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(2-chlorophenyl)-4-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-(2-chlorophenyl)-4-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C20H22ClN4S+ MolecularWeight: 385.93348

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3Cl)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3Cl)C4=CC=CC=C4

InChI

InChI=1S/C20H21ClN4S/c21-18-12-6-5-11-17(18)19-22-24(15-23-13-7-2-8-14-23)20(26)25(19)16-9-3-1-4-10-16/h1,3-6,9-12H,2,7-8,13-15H2/p+1