3-butyl-4-(phenylmethylsulfanyl)pyran-2-one

Systemtic Name: 3-butyl-4-(phenylmethylsulfanyl)pyran-2-one Openeye Name: 4-benzylsulfanyl-3-butyl-pyran-2-one CAS Name: 3-butyl-4-(phenylmethylthio)-2-pyranone IUPAC Name: 4-benzylsulfanyl-3-butylpyran-2-one Traditional Name: 4-(benzylthio)-3-butyl-pyran-2-one Formula: C16H18O2S MolecularWeight: 274.37792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=COC1=O)SCC2=CC=CC=C2

Isomeric SMILES

CCCCC1=C(C=COC1=O)SCC2=CC=CC=C2

InChI

InChI=1S/C16H18O2S/c1-2-3-9-14-15(10-11-18-16(14)17)19-12-13-7-5-4-6-8-13/h4-8,10-11H,2-3,9,12H2,1H3