4-[(4-methylsulfanylphenyl)methyl]-5-oxidanyl-thiophen-3-one

Systemtic Name: 4-[(4-methylsulfanylphenyl)methyl]-5-oxidanyl-thiophen-3-one Openeye Name: 5-hydroxy-4-[(4-methylsulfanylphenyl)methyl]thiophen-3-one CAS Name: 5-hydroxy-4-[[4-(methylthio)phenyl]methyl]-3-thiophenone IUPAC Name: 5-hydroxy-4-[(4-methylsulfanylphenyl)methyl]thiophen-3-one Traditional Name: 5-hydroxy-4-[4-(methylthio)benzyl]thiophen-3-one Formula: C12H12O2S2 MolecularWeight: 252.35248

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CC2=C(SCC2=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CC2=C(SCC2=O)O

InChI

InChI=1S/C12H12O2S2/c1-15-9-4-2-8(3-5-9)6-10-11(13)7-16-12(10)14/h2-5,14H,6-7H2,1H3