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

Systemtic Name: 5-methyl-4-(3-methylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-methyl-4-(m-tolyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-methyl-4-(3-methylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-methyl-4-(3-methylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-methyl-4-(m-tolyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Formula: C20H23N4S+ MolecularWeight: 351.48842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN(C2=S)C[NH+]3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN(C2=S)C[NH+]3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C20H22N4S/c1-15-6-5-9-19(12-15)24-16(2)21-23(20(24)25)14-22-11-10-17-7-3-4-8-18(17)13-22/h3-9,12H,10-11,13-14H2,1-2H3/p+1