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

Systemtic Name: 5-(4-methylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-1,2,4-triazole-3-thione Openeye Name: 5-(p-tolyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-1,2,4-triazole-3-thione CAS Name: 5-(4-methylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-1,2,4-triazole-3-thione Traditional Name: 5-(p-tolyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-1,2,4-triazole-3-thione Formula: C19H21N4S+ MolecularWeight: 337.46184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C19H20N4S/c1-14-6-8-16(9-7-14)18-20-19(24)23(21-18)13-22-11-10-15-4-2-3-5-17(15)12-22/h2-9H,10-13H2,1H3,(H,20,21,24)/p+1