1-[2-(4-methylphenyl)sulfanylethyl]-5-oxidanyl-azepan-2-one

Systemtic Name: 1-[2-(4-methylphenyl)sulfanylethyl]-5-oxidanyl-azepan-2-one Openeye Name: 5-hydroxy-1-[2-(p-tolylsulfanyl)ethyl]azepan-2-one CAS Name: 5-hydroxy-1-[2-[(4-methylphenyl)thio]ethyl]-2-azepanone IUPAC Name: 5-hydroxy-1-[2-(4-methylphenyl)sulfanylethyl]azepan-2-one Traditional Name: 5-hydroxy-1-[2-(p-tolylthio)ethyl]azepan-2-one Formula: C15H21NO2S MolecularWeight: 279.39774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCN2CCC(CCC2=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCCN2CCC(CCC2=O)O

InChI

InChI=1S/C15H21NO2S/c1-12-2-5-14(6-3-12)19-11-10-16-9-8-13(17)4-7-15(16)18/h2-3,5-6,13,17H,4,7-11H2,1H3