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

Systemtic Name: 3-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole-2-thione Openeye Name: 3-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(3-pyridyl)-1,3,4-oxadiazole-2-thione CAS Name: 3-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(3-pyridinyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole-2-thione Traditional Name: 3-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(3-pyridyl)-1,3,4-oxadiazole-2-thione Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)CN3C(=S)OC(=N3)C4=CN=CC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)CN3C(=S)OC(=N3)C4=CN=CC=C4)OCC

InChI

InChI=1S/C21H24N4O3S/c1-3-26-18-10-15-7-9-24(13-17(15)11-19(18)27-4-2)14-25-21(29)28-20(23-25)16-6-5-8-22-12-16/h5-6,8,10-12H,3-4,7,9,13-14H2,1-2H3