6-(3-methylphenyl)-2-oxidanyl-3-(phenylmethylsulfanyl)pyran-4-one

Systemtic Name: 6-(3-methylphenyl)-2-oxidanyl-3-(phenylmethylsulfanyl)pyran-4-one Openeye Name: 3-benzylsulfanyl-2-hydroxy-6-(m-tolyl)pyran-4-one CAS Name: 2-hydroxy-6-(3-methylphenyl)-3-(phenylmethylthio)-4-pyranone IUPAC Name: 3-benzylsulfanyl-2-hydroxy-6-(3-methylphenyl)pyran-4-one Traditional Name: 3-(benzylthio)-2-hydroxy-6-(m-tolyl)pyran-4-one Formula: C19H16O3S MolecularWeight: 324.39354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC(=O)C(=C(O2)O)SCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC(=O)C(=C(O2)O)SCC3=CC=CC=C3

InChI

InChI=1S/C19H16O3S/c1-13-6-5-9-15(10-13)17-11-16(20)18(19(21)22-17)23-12-14-7-3-2-4-8-14/h2-11,21H,12H2,1H3