3-(4-chlorophenyl)-2-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-oxidanyl-isoindol-1-one

Systemtic Name: 3-(4-chlorophenyl)-2-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-oxidanyl-isoindol-1-one Openeye Name: 3-(4-chlorophenyl)-2-[2-(2-furylmethylsulfanyl)ethyl]-3-hydroxy-isoindolin-1-one CAS Name: 3-(4-chlorophenyl)-2-[2-(2-furanylmethylthio)ethyl]-3-hydroxy-1-isoindolone IUPAC Name: 3-(4-chlorophenyl)-2-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-hydroxyisoindol-1-one Traditional Name: 3-(4-chlorophenyl)-2-[2-(2-furfurylthio)ethyl]-3-hydroxy-isoindolin-1-one Formula: C21H18ClNO3S MolecularWeight: 399.89052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2(C3=CC=C(C=C3)Cl)O)CCSCC4=CC=CO4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2(C3=CC=C(C=C3)Cl)O)CCSCC4=CC=CO4

InChI

InChI=1S/C21H18ClNO3S/c22-16-9-7-15(8-10-16)21(25)19-6-2-1-5-18(19)20(24)23(21)11-13-27-14-17-4-3-12-26-17/h1-10,12,25H,11,13-14H2