(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-phenylsulfanylpyridin-3-yl)methanone

Systemtic Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-phenylsulfanylpyridin-3-yl)methanone Openeye Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-phenylsulfanyl-3-pyridyl)methanone CAS Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(phenylthio)-3-pyridinyl]methanone IUPAC Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-phenylsulfanylpyridin-3-yl)methanone Traditional Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(phenylthio)-3-pyridyl]methanone Formula: C23H22N2O3S MolecularWeight: 406.49738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4)OC

InChI

InChI=1S/C23H22N2O3S/c1-27-20-13-16-10-12-25(15-17(16)14-21(20)28-2)23(26)19-9-6-11-24-22(19)29-18-7-4-3-5-8-18/h3-9,11,13-14H,10,12,15H2,1-2H3