2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione

Systemtic Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione Openeye Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-(2-thienyl)-1H-1,2,4-triazole-3-thione CAS Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione Traditional Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-(2-thienyl)-1H-1,2,4-triazole-3-thione Formula: C18H21N4O2S2+ MolecularWeight: 389.51494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CN3C(=S)N=C(N3)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CN3C(=S)N=C(N3)C4=CC=CS4)OC

InChI

InChI=1S/C18H20N4O2S2/c1-23-14-8-12-5-6-21(10-13(12)9-15(14)24-2)11-22-18(25)19-17(20-22)16-4-3-7-26-16/h3-4,7-9H,5-6,10-11H2,1-2H3,(H,19,20,25)/p+1