3-(4-methylphenyl)sulfanyl-3-phenyl-2-benzofuran-1-one

Systemtic Name: 3-(4-methylphenyl)sulfanyl-3-phenyl-2-benzofuran-1-one Openeye Name: 3-phenyl-3-(p-tolylsulfanyl)isobenzofuran-1-one CAS Name: 3-[(4-methylphenyl)thio]-3-phenyl-1-isobenzofuranone IUPAC Name: 3-(4-methylphenyl)sulfanyl-3-phenyl-2-benzofuran-1-one Traditional Name: 3-phenyl-3-(p-tolylthio)phthalide Formula: C21H16O2S MolecularWeight: 332.41554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2(C3=CC=CC=C3C(=O)O2)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SC2(C3=CC=CC=C3C(=O)O2)C4=CC=CC=C4

InChI

InChI=1S/C21H16O2S/c1-15-11-13-17(14-12-15)24-21(16-7-3-2-4-8-16)19-10-6-5-9-18(19)20(22)23-21/h2-14H,1H3