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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCC4=CC=CC=C4C3

InChI

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