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

Systemtic Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C26H27N5O2S MolecularWeight: 473.58988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CN3C(=S)N(C(=N3)C4=CN=CC=C4)CC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CN3C(=S)N(C(=N3)C4=CN=CC=C4)CC5=CC=CC=C5)OC

InChI

InChI=1S/C26H27N5O2S/c1-32-23-13-20-10-12-29(17-22(20)14-24(23)33-2)18-31-26(34)30(16-19-7-4-3-5-8-19)25(28-31)21-9-6-11-27-15-21/h3-9,11,13-15H,10,12,16-18H2,1-2H3