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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN(C2=S)CN3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CC1=CC=CC=C1N2C=NN(C2=S)CN3CCC4=CC(=C(C=C4C3)OC)OC

InChI

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