1-(2-hydroxyphenyl)-3-(sulfanylmethyl)azepan-2-one

Systemtic Name: 1-(2-hydroxyphenyl)-3-(sulfanylmethyl)azepan-2-one Openeye Name: 1-(2-hydroxyphenyl)-3-(sulfanylmethyl)azepan-2-one CAS Name: 1-(2-hydroxyphenyl)-3-(mercaptomethyl)-2-azepanone IUPAC Name: 1-(2-hydroxyphenyl)-3-(sulfanylmethyl)azepan-2-one Traditional Name: 1-(2-hydroxyphenyl)-3-(mercaptomethyl)azepan-2-one Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)CS)C2=CC=CC=C2O

Isomeric SMILES

C1CCN(C(=O)C(C1)CS)C2=CC=CC=C2O

InChI

InChI=1S/C13H17NO2S/c15-12-7-2-1-6-11(12)14-8-4-3-5-10(9-17)13(14)16/h1-2,6-7,10,15,17H,3-5,8-9H2