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

Systemtic Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazole-3-thione Openeye Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-methyl-5-(o-tolyl)-1,2,4-triazole-3-thione CAS Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazole-3-thione Traditional Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-methyl-5-(o-tolyl)-1,2,4-triazole-3-thione Formula: C22H26N4O2S MolecularWeight: 410.53244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C(=S)N2C)CN3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C(=S)N2C)CN3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C22H26N4O2S/c1-15-7-5-6-8-18(15)21-23-26(22(29)24(21)2)14-25-10-9-16-11-19(27-3)20(28-4)12-17(16)13-25/h5-8,11-12H,9-10,13-14H2,1-4H3