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

Systemtic Name: 6,7-dimethyl-2-propyl-5-[[3-(pyridin-4-ylsulfanylmethyl)phenyl]methoxy]-2,3-dihydroinden-1-one Openeye Name: 6,7-dimethyl-2-propyl-5-[[3-(4-pyridylsulfanylmethyl)phenyl]methoxy]indan-1-one CAS Name: 6,7-dimethyl-2-propyl-5-[[3-[(pyridin-4-ylthio)methyl]phenyl]methoxy]-2,3-dihydroinden-1-one IUPAC Name: 6,7-dimethyl-2-propyl-5-[[3-(pyridin-4-ylsulfanylmethyl)phenyl]methoxy]-2,3-dihydroinden-1-one Traditional Name: 6,7-dimethyl-2-propyl-5-[3-[(4-pyridylthio)methyl]benzyl]oxy-indan-1-one Formula: C27H29NO2S MolecularWeight: 431.58966

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CC2=CC(=C(C(=C2C1=O)C)C)OCC3=CC(=CC=C3)CSC4=CC=NC=C4

Isomeric SMILES

CCCC1CC2=CC(=C(C(=C2C1=O)C)C)OCC3=CC(=CC=C3)CSC4=CC=NC=C4

InChI

InChI=1S/C27H29NO2S/c1-4-6-22-14-23-15-25(18(2)19(3)26(23)27(22)29)30-16-20-7-5-8-21(13-20)17-31-24-9-11-28-12-10-24/h5,7-13,15,22H,4,6,14,16-17H2,1-3H3