2-[(6,7-diethoxy-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-diethoxy-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-diethoxy-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-diethoxy-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-diethoxy-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-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-(2-thienyl)-1H-1,2,4-triazole-3-thione Formula: C20H25N4O2S2+ MolecularWeight: 417.5681

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C[NH+](CCC2=C1)CN3C(=S)N=C(N3)C4=CC=CS4)OCC

Isomeric SMILES

CCOC1=C(C=C2C[NH+](CCC2=C1)CN3C(=S)N=C(N3)C4=CC=CS4)OCC

InChI

InChI=1S/C20H24N4O2S2/c1-3-25-16-10-14-7-8-23(12-15(14)11-17(16)26-4-2)13-24-20(27)21-19(22-24)18-6-5-9-28-18/h5-6,9-11H,3-4,7-8,12-13H2,1-2H3,(H,21,22,27)/p+1