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

Systemtic Name: 4-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione Openeye Name: 4-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-5-(2-thienyl)-1,2,4-triazole-3-thione CAS Name: 4-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione IUPAC Name: 4-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione Traditional Name: 4-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-5-(2-thienyl)-1,2,4-triazole-3-thione Formula: C22H21N4S2+ MolecularWeight: 405.55894

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CN3C(=S)N(C(=N3)C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CN3C(=S)N(C(=N3)C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C22H20N4S2/c27-22-25(16-24-13-12-17-7-4-5-8-18(17)15-24)23-21(20-11-6-14-28-20)26(22)19-9-2-1-3-10-19/h1-11,14H,12-13,15-16H2/p+1