5-[(4-fluorophenyl)methylsulfanyl]-4-methoxy-pentan-2-one

Systemtic Name: 5-[(4-fluorophenyl)methylsulfanyl]-4-methoxy-pentan-2-one Openeye Name: 5-[(4-fluorophenyl)methylsulfanyl]-4-methoxy-pentan-2-one CAS Name: 5-[(4-fluorophenyl)methylthio]-4-methoxy-2-pentanone IUPAC Name: 5-[(4-fluorophenyl)methylsulfanyl]-4-methoxypentan-2-one Traditional Name: 5-[(4-fluorobenzyl)thio]-4-methoxy-pentan-2-one Formula: C13H17FO2S MolecularWeight: 256.336283

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(CSCC1=CC=C(C=C1)F)OC

Isomeric SMILES

CC(=O)CC(CSCC1=CC=C(C=C1)F)OC

InChI

InChI=1S/C13H17FO2S/c1-10(15)7-13(16-2)9-17-8-11-3-5-12(14)6-4-11/h3-6,13H,7-9H2,1-2H3