2-[(5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-[(5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-methyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-methyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN2CC(C3=C(C=CC(=C3C2)OC)OC)O)C4=CC=NC=C4

Isomeric SMILES

CN1C(=NN(C1=S)CN2CC(C3=C(C=CC(=C3C2)OC)OC)O)C4=CC=NC=C4

InChI

InChI=1S/C20H23N5O3S/c1-23-19(13-6-8-21-9-7-13)22-25(20(23)29)12-24-10-14-16(27-2)4-5-17(28-3)18(14)15(26)11-24/h4-9,15,26H,10-12H2,1-3H3