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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN(C2=S)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC=CC=C1N2C=NN(C2=S)C[NH+]3CCC4=CC=CC=C4C3

InChI

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