2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(4-methylphenyl)-1H-1,2,4-triazole-3-thione

Systemtic Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(4-methylphenyl)-1H-1,2,4-triazole-3-thione Openeye Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(p-tolyl)-1H-1,2,4-triazole-3-thione CAS Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(4-methylphenyl)-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(4-methylphenyl)-1H-1,2,4-triazole-3-thione Traditional Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(p-tolyl)-1H-1,2,4-triazole-3-thione Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C21H24N4O2S/c1-14-4-6-15(7-5-14)20-22-21(28)25(23-20)13-24-9-8-16-10-18(26-2)19(27-3)11-17(16)12-24/h4-7,10-11H,8-9,12-13H2,1-3H3,(H,22,23,28)