2-[(5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-phenyl-1H-1,2,4-triazole-3-thione

Systemtic Name: 2-[(5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Openeye Name: 2-[(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-phenyl-1H-1,2,4-triazole-3-thione CAS Name: 2-[(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-phenyl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Traditional Name: 2-[(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2CN(CC(C2=C(C=C1)OC)O)CN3C(=S)N=C(N3)C4=CC=CC=C4

Isomeric SMILES

COC1=C2CN(CC(C2=C(C=C1)OC)O)CN3C(=S)N=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C20H22N4O3S/c1-26-16-8-9-17(27-2)18-14(16)10-23(11-15(18)25)12-24-20(28)21-19(22-24)13-6-4-3-5-7-13/h3-9,15,25H,10-12H2,1-2H3,(H,21,22,28)