2-[(5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(4-ethylphenyl)-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-ethylphenyl)-1H-1,2,4-triazole-3-thione Openeye Name: 5-(4-ethylphenyl)-2-[(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-(4-ethylphenyl)-2-[(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(4-ethylphenyl)-2-[(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-(4-ethylphenyl)-2-[(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1H-1,2,4-triazole-3-thione Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CC(C4=C(C=CC(=C4C3)OC)OC)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CC(C4=C(C=CC(=C4C3)OC)OC)O

InChI

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