6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-5-[[3-(pyridin-4-ylsulfanylmethyl)phenyl]methoxy]-3H-inden-1-one

Systemtic Name: 6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-5-[[3-(pyridin-4-ylsulfanylmethyl)phenyl]methoxy]-3H-inden-1-one Openeye Name: 6,7-dichloro-2-cyclopentyl-2-methyl-5-[[3-(4-pyridylsulfanylmethyl)phenyl]methoxy]indan-1-one CAS Name: 6,7-dichloro-2-cyclopentyl-2-methyl-5-[[3-[(pyridin-4-ylthio)methyl]phenyl]methoxy]-3H-inden-1-one IUPAC Name: 6,7-dichloro-2-cyclopentyl-2-methyl-5-[[3-(pyridin-4-ylsulfanylmethyl)phenyl]methoxy]-3H-inden-1-one Traditional Name: 6,7-dichloro-2-cyclopentyl-2-methyl-5-[3-[(4-pyridylthio)methyl]benzyl]oxy-indan-1-one Formula: C28H27Cl2NO2S MolecularWeight: 512.49048

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCC3=CC(=CC=C3)CSC4=CC=NC=C4)C5CCCC5

Isomeric SMILES

CC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCC3=CC(=CC=C3)CSC4=CC=NC=C4)C5CCCC5

InChI

InChI=1S/C28H27Cl2NO2S/c1-28(21-7-2-3-8-21)15-20-14-23(25(29)26(30)24(20)27(28)32)33-16-18-5-4-6-19(13-18)17-34-22-9-11-31-12-10-22/h4-6,9-14,21H,2-3,7-8,15-17H2,1H3