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

Systemtic Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-phenylsulfanylpyridin-3-yl)methanone Openeye Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-phenylsulfanyl-3-pyridyl)methanone CAS Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(phenylthio)-3-pyridinyl]methanone IUPAC Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-phenylsulfanylpyridin-3-yl)methanone Traditional Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(phenylthio)-3-pyridyl]methanone Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4)OCC

InChI

InChI=1S/C25H26N2O3S/c1-3-29-22-15-18-12-14-27(17-19(18)16-23(22)30-4-2)25(28)21-11-8-13-26-24(21)31-20-9-6-5-7-10-20/h5-11,13,15-16H,3-4,12,14,17H2,1-2H3