2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-phenyl-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-phenyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-phenyl-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-phenyl-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-phenyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-phenyl-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C25H25N5O2S MolecularWeight: 459.5633

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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)C5=CC=CC=C5)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5O2S/c1-31-22-13-18-10-12-28(16-20(18)14-23(22)32-2)17-29-25(33)30(21-8-4-3-5-9-21)24(27-29)19-7-6-11-26-15-19/h3-9,11,13-15H,10,12,16-17H2,1-2H3