3-[1-(3,4-dichlorophenyl)but-3-enyl]-2-methyl-6-methylsulfanyl-3-oxidanyl-isoindol-1-one

Systemtic Name: 3-[1-(3,4-dichlorophenyl)but-3-enyl]-2-methyl-6-methylsulfanyl-3-oxidanyl-isoindol-1-one Openeye Name: 3-[1-(3,4-dichlorophenyl)but-3-enyl]-3-hydroxy-2-methyl-6-methylsulfanyl-isoindolin-1-one CAS Name: 3-[1-(3,4-dichlorophenyl)but-3-enyl]-3-hydroxy-2-methyl-6-(methylthio)-1-isoindolone IUPAC Name: 3-[1-(3,4-dichlorophenyl)but-3-enyl]-3-hydroxy-2-methyl-6-methylsulfanylisoindol-1-one Traditional Name: 3-[1-(3,4-dichlorophenyl)but-3-enyl]-3-hydroxy-2-methyl-6-(methylthio)isoindolin-1-one Formula: C20H19Cl2NO2S MolecularWeight: 408.34136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1(C(CC=C)C3=CC(=C(C=C3)Cl)Cl)O)C=CC(=C2)SC

Isomeric SMILES

CN1C(=O)C2=C(C1(C(CC=C)C3=CC(=C(C=C3)Cl)Cl)O)C=CC(=C2)SC

InChI

InChI=1S/C20H19Cl2NO2S/c1-4-5-15(12-6-9-17(21)18(22)10-12)20(25)16-8-7-13(26-3)11-14(16)19(24)23(20)2/h4,6-11,15,25H,1,5H2,2-3H3