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

Systemtic Name: 5-(4-methylphenyl)-4-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-phenyl-2-(piperidin-1-ium-1-ylmethyl)-5-(p-tolyl)-1,2,4-triazole-3-thione CAS Name: 5-(4-methylphenyl)-4-phenyl-2-(1-piperidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methylphenyl)-4-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-phenyl-2-(piperidin-1-ium-1-ylmethyl)-5-(p-tolyl)-1,2,4-triazole-3-thione Formula: C21H25N4S+ MolecularWeight: 365.515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C21H24N4S/c1-17-10-12-18(13-11-17)20-22-24(16-23-14-6-3-7-15-23)21(26)25(20)19-8-4-2-5-9-19/h2,4-5,8-13H,3,6-7,14-16H2,1H3/p+1