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

Systemtic Name: 5-(4-methylphenyl)-2-(piperidin-1-ium-1-ylmethyl)-1H-1,2,4-triazole-3-thione Openeye Name: 2-(piperidin-1-ium-1-ylmethyl)-5-(p-tolyl)-1H-1,2,4-triazole-3-thione CAS Name: 5-(4-methylphenyl)-2-(1-piperidin-1-iumylmethyl)-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methylphenyl)-2-(piperidin-1-ium-1-ylmethyl)-1H-1,2,4-triazole-3-thione Traditional Name: 2-(piperidin-1-ium-1-ylmethyl)-5-(p-tolyl)-1H-1,2,4-triazole-3-thione Formula: C15H21N4S+ MolecularWeight: 289.41904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCCCC3

InChI

InChI=1S/C15H20N4S/c1-12-5-7-13(8-6-12)14-16-15(20)19(17-14)11-18-9-3-2-4-10-18/h5-8H,2-4,9-11H2,1H3,(H,16,17,20)/p+1