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

Systemtic Name: 5-(2-bromophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-1,2,4-triazole-3-thione Openeye Name: 5-(2-bromophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-1,2,4-triazole-3-thione CAS Name: 5-(2-bromophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(2-bromophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-1,2,4-triazole-3-thione Traditional Name: 5-(2-bromophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-1,2,4-triazole-3-thione Formula: C18H18BrN4S+ MolecularWeight: 402.33132

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CN3C(=S)N=C(N3)C4=CC=CC=C4Br

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CN3C(=S)N=C(N3)C4=CC=CC=C4Br

InChI

InChI=1S/C18H17BrN4S/c19-16-8-4-3-7-15(16)17-20-18(24)23(21-17)12-22-10-9-13-5-1-2-6-14(13)11-22/h1-8H,9-12H2,(H,20,21,24)/p+1