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

Systemtic Name: 2-[(5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(4-methylphenyl)-1H-1,2,4-triazole-3-thione Openeye Name: 2-[(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(p-tolyl)-1H-1,2,4-triazole-3-thione CAS Name: 2-[(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(4-methylphenyl)-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(4-methylphenyl)-1H-1,2,4-triazole-3-thione Traditional Name: 2-[(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(p-tolyl)-1H-1,2,4-triazole-3-thione Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CC(C4=C(C=CC(=C4C3)OC)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CC(C4=C(C=CC(=C4C3)OC)OC)O

InChI

InChI=1S/C21H24N4O3S/c1-13-4-6-14(7-5-13)20-22-21(29)25(23-20)12-24-10-15-17(27-2)8-9-18(28-3)19(15)16(26)11-24/h4-9,16,26H,10-12H2,1-3H3,(H,22,23,29)