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

Systemtic Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-ethyl-5-thiophen-2-yl-1,2,4-triazole-3-thione Openeye Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-ethyl-5-(2-thienyl)-1,2,4-triazole-3-thione CAS Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-ethyl-5-thiophen-2-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-ethyl-5-thiophen-2-yl-1,2,4-triazole-3-thione Traditional Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-ethyl-5-(2-thienyl)-1,2,4-triazole-3-thione Formula: C20H25N4O2S2+ MolecularWeight: 417.5681

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC)C4=CC=CS4

InChI

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