1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-2-ylmethylsulfanyl)propan-1-one

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-2-ylmethylsulfanyl)propan-1-one Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-pyridylmethylsulfanyl)propan-1-one CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-pyridinylmethylthio)-1-propanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-2-ylmethylsulfanyl)propan-1-one Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-pyridylmethylthio)propan-1-one Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CCSCC3=CC=CC=N3)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CCSCC3=CC=CC=N3)OC

InChI

InChI=1S/C20H24N2O3S/c1-24-18-11-15-6-9-22(13-16(15)12-19(18)25-2)20(23)7-10-26-14-17-5-3-4-8-21-17/h3-5,8,11-12H,6-7,9-10,13-14H2,1-2H3