3-(3-methyl-2-phenylsulfanyl-butyl)-2-oxidanyl-thiopyran-4-one

Systemtic Name: 3-(3-methyl-2-phenylsulfanyl-butyl)-2-oxidanyl-thiopyran-4-one Openeye Name: 2-hydroxy-3-(3-methyl-2-phenylsulfanyl-butyl)thiopyran-4-one CAS Name: 2-hydroxy-3-[3-methyl-2-(phenylthio)butyl]-4-thiopyranone IUPAC Name: 2-hydroxy-3-(3-methyl-2-phenylsulfanylbutyl)thiopyran-4-one Traditional Name: 2-hydroxy-3-[3-methyl-2-(phenylthio)butyl]thiopyran-4-one Formula: C16H18O2S2 MolecularWeight: 306.44292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC1=C(SC=CC1=O)O)SC2=CC=CC=C2

Isomeric SMILES

CC(C)C(CC1=C(SC=CC1=O)O)SC2=CC=CC=C2

InChI

InChI=1S/C16H18O2S2/c1-11(2)15(20-12-6-4-3-5-7-12)10-13-14(17)8-9-19-16(13)18/h3-9,11,15,18H,10H2,1-2H3