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

Systemtic Name: 4-cyclopropyl-2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-(2-thienyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-(2-thienyl)-1,2,4-triazole-3-thione Formula: C21H25N4O2S2+ MolecularWeight: 429.5788

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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)C5CC5)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CN3C(=S)N(C(=N3)C4=CC=CS4)C5CC5)OC

InChI

InChI=1S/C21H24N4O2S2/c1-26-17-10-14-7-8-23(12-15(14)11-18(17)27-2)13-24-21(28)25(16-5-6-16)20(22-24)19-4-3-9-29-19/h3-4,9-11,16H,5-8,12-13H2,1-2H3/p+1