1-[3-(butan-2-ylsulfanylmethyl)-5-fluoranyl-2-oxidanyl-phenyl]ethanone

Systemtic Name: 1-[3-(butan-2-ylsulfanylmethyl)-5-fluoranyl-2-oxidanyl-phenyl]ethanone Openeye Name: 1-[5-fluoro-2-hydroxy-3-(sec-butylsulfanylmethyl)phenyl]ethanone CAS Name: 1-[3-[(butan-2-ylthio)methyl]-5-fluoro-2-hydroxyphenyl]ethanone IUPAC Name: 1-[3-(butan-2-ylsulfanylmethyl)-5-fluoro-2-hydroxyphenyl]ethanone Traditional Name: 1-[5-fluoro-2-hydroxy-3-[(sec-butylthio)methyl]phenyl]ethanone Formula: C13H17FO2S MolecularWeight: 256.336283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SCC1=C(C(=CC(=C1)F)C(=O)C)O

Isomeric SMILES

CCC(C)SCC1=C(C(=CC(=C1)F)C(=O)C)O

InChI

InChI=1S/C13H17FO2S/c1-4-8(2)17-7-10-5-11(14)6-12(9(3)15)13(10)16/h5-6,8,16H,4,7H2,1-3H3