2-[(5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-methyl-5-(4-methylphenyl)-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-(4-methylphenyl)-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-(p-tolyl)-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-(4-methylphenyl)-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-(4-methylphenyl)-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-(p-tolyl)-1,2,4-triazole-3-thione Formula: C22H26N4O3S MolecularWeight: 426.53184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=S)N2C)CN3CC(C4=C(C=CC(=C4C3)OC)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=S)N2C)CN3CC(C4=C(C=CC(=C4C3)OC)OC)O

InChI

InChI=1S/C22H26N4O3S/c1-14-5-7-15(8-6-14)21-23-26(22(30)24(21)2)13-25-11-16-18(28-3)9-10-19(29-4)20(16)17(27)12-25/h5-10,17,27H,11-13H2,1-4H3