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

Systemtic Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Openeye Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-phenyl-1H-1,2,4-triazole-3-thione CAS Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-phenyl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Traditional Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CN3C(=S)N=C(N3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CN3C(=S)N=C(N3)C4=CC=CC=C4)OC

InChI

InChI=1S/C20H22N4O2S/c1-25-17-10-15-8-9-23(12-16(15)11-18(17)26-2)13-24-20(27)21-19(22-24)14-6-4-3-5-7-14/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,21,22,27)