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

Systemtic Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione Openeye Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-5-(2-thienyl)-1H-1,2,4-triazole-3-thione CAS Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione Traditional Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-5-(2-thienyl)-1H-1,2,4-triazole-3-thione Formula: C16H17N4S2+ MolecularWeight: 329.46298

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CN3C(=S)N=C(N3)C4=CC=CS4

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CN3C(=S)N=C(N3)C4=CC=CS4

InChI

InChI=1S/C16H16N4S2/c21-16-17-15(14-6-3-9-22-14)18-20(16)11-19-8-7-12-4-1-2-5-13(12)10-19/h1-6,9H,7-8,10-11H2,(H,17,18,21)/p+1