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

Systemtic Name: 5-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-1,2,4-triazole-3-thione Openeye Name: 5-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-1,2,4-triazole-3-thione CAS Name: 5-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-1,2,4-triazole-3-thione IUPAC Name: 5-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-1,2,4-triazole-3-thione Traditional Name: 5-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-1,2,4-triazole-3-thione Formula: C18H19N4S+ MolecularWeight: 323.43526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4S/c23-18-19-17(15-7-2-1-3-8-15)20-22(18)13-21-11-10-14-6-4-5-9-16(14)12-21/h1-9H,10-13H2,(H,19,20,23)/p+1