3-(4-methoxyphenyl)sulfanylazepan-2-one

Systemtic Name: 3-(4-methoxyphenyl)sulfanylazepan-2-one Openeye Name: 3-(4-methoxyphenyl)sulfanylazepan-2-one CAS Name: 3-[(4-methoxyphenyl)thio]-2-azepanone IUPAC Name: 3-(4-methoxyphenyl)sulfanylazepan-2-one Traditional Name: 3-[(4-methoxyphenyl)thio]azepan-2-one Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2CCCCNC2=O

Isomeric SMILES

COC1=CC=C(C=C1)SC2CCCCNC2=O

InChI

InChI=1S/C13H17NO2S/c1-16-10-5-7-11(8-6-10)17-12-4-2-3-9-14-13(12)15/h5-8,12H,2-4,9H2,1H3,(H,14,15)