5-(4-methylphenyl)-2-methylsulfanyl-pyran-4-one

Systemtic Name: 5-(4-methylphenyl)-2-methylsulfanyl-pyran-4-one Openeye Name: 2-methylsulfanyl-5-(p-tolyl)pyran-4-one CAS Name: 5-(4-methylphenyl)-2-(methylthio)-4-pyranone IUPAC Name: 5-(4-methylphenyl)-2-methylsulfanylpyran-4-one Traditional Name: 2-(methylthio)-5-(p-tolyl)pyran-4-one Formula: C13H12O2S MolecularWeight: 232.29818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=COC(=CC2=O)SC

Isomeric SMILES

CC1=CC=C(C=C1)C2=COC(=CC2=O)SC

InChI

InChI=1S/C13H12O2S/c1-9-3-5-10(6-4-9)11-8-15-13(16-2)7-12(11)14/h3-8H,1-2H3