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

Systemtic Name: 2-cyclopentyl-6,7-dimethyl-5-[[3-(pyridin-4-ylsulfanylmethyl)phenyl]methoxy]-2,3-dihydroinden-1-one Openeye Name: 2-cyclopentyl-6,7-dimethyl-5-[[3-(4-pyridylsulfanylmethyl)phenyl]methoxy]indan-1-one CAS Name: 2-cyclopentyl-6,7-dimethyl-5-[[3-[(pyridin-4-ylthio)methyl]phenyl]methoxy]-2,3-dihydroinden-1-one IUPAC Name: 2-cyclopentyl-6,7-dimethyl-5-[[3-(pyridin-4-ylsulfanylmethyl)phenyl]methoxy]-2,3-dihydroinden-1-one Traditional Name: 2-cyclopentyl-6,7-dimethyl-5-[3-[(4-pyridylthio)methyl]benzyl]oxy-indan-1-one Formula: C29H31NO2S MolecularWeight: 457.62694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2CC(C(=O)C2=C1C)C3CCCC3)OCC4=CC(=CC=C4)CSC5=CC=NC=C5

Isomeric SMILES

CC1=C(C=C2CC(C(=O)C2=C1C)C3CCCC3)OCC4=CC(=CC=C4)CSC5=CC=NC=C5

InChI

InChI=1S/C29H31NO2S/c1-19-20(2)28-24(15-26(29(28)31)23-8-3-4-9-23)16-27(19)32-17-21-6-5-7-22(14-21)18-33-25-10-12-30-13-11-25/h5-7,10-14,16,23,26H,3-4,8-9,15,17-18H2,1-2H3