2-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-methyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-methyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C22H28N5O2S+ MolecularWeight: 426.55502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O2S/c1-4-28-19-12-17-8-11-26(14-18(17)13-20(19)29-5-2)15-27-22(30)25(3)21(24-27)16-6-9-23-10-7-16/h6-7,9-10,12-13H,4-5,8,11,14-15H2,1-3H3/p+1