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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCC4=CC(=C(C=C4C3)OC)OC

InChI

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