6,7-dimethyl-2-propyl-5-[(3-pyridin-4-ylsulfanylphenyl)methoxy]-2,3-dihydroinden-1-one

Systemtic Name: 6,7-dimethyl-2-propyl-5-[(3-pyridin-4-ylsulfanylphenyl)methoxy]-2,3-dihydroinden-1-one Openeye Name: 6,7-dimethyl-2-propyl-5-[[3-(4-pyridylsulfanyl)phenyl]methoxy]indan-1-one CAS Name: 6,7-dimethyl-2-propyl-5-[[3-(pyridin-4-ylthio)phenyl]methoxy]-2,3-dihydroinden-1-one IUPAC Name: 6,7-dimethyl-2-propyl-5-[(3-pyridin-4-ylsulfanylphenyl)methoxy]-2,3-dihydroinden-1-one Traditional Name: 6,7-dimethyl-2-propyl-5-[3-(4-pyridylthio)benzyl]oxy-indan-1-one Formula: C26H27NO2S MolecularWeight: 417.56308

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CC2=CC(=C(C(=C2C1=O)C)C)OCC3=CC(=CC=C3)SC4=CC=NC=C4

Isomeric SMILES

CCCC1CC2=CC(=C(C(=C2C1=O)C)C)OCC3=CC(=CC=C3)SC4=CC=NC=C4

InChI

InChI=1S/C26H27NO2S/c1-4-6-20-14-21-15-24(17(2)18(3)25(21)26(20)28)29-16-19-7-5-8-23(13-19)30-22-9-11-27-12-10-22/h5,7-13,15,20H,4,6,14,16H2,1-3H3