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

Systemtic Name: 6,7-bis(chloranyl)-2-methyl-2-phenyl-5-[[3-(pyridin-4-ylsulfanylmethyl)phenyl]methoxy]-3H-inden-1-one Openeye Name: 6,7-dichloro-2-methyl-2-phenyl-5-[[3-(4-pyridylsulfanylmethyl)phenyl]methoxy]indan-1-one CAS Name: 6,7-dichloro-2-methyl-2-phenyl-5-[[3-[(pyridin-4-ylthio)methyl]phenyl]methoxy]-3H-inden-1-one IUPAC Name: 6,7-dichloro-2-methyl-2-phenyl-5-[[3-(pyridin-4-ylsulfanylmethyl)phenyl]methoxy]-3H-inden-1-one Traditional Name: 6,7-dichloro-2-methyl-2-phenyl-5-[3-[(4-pyridylthio)methyl]benzyl]oxy-indan-1-one Formula: C29H23Cl2NO2S MolecularWeight: 520.46942

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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)C5=CC=CC=C5

Isomeric SMILES

CC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCC3=CC(=CC=C3)CSC4=CC=NC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H23Cl2NO2S/c1-29(22-8-3-2-4-9-22)16-21-15-24(26(30)27(31)25(21)28(29)33)34-17-19-6-5-7-20(14-19)18-35-23-10-12-32-13-11-23/h2-15H,16-18H2,1H3