1-(3-phenylsulfanylpropyl)azepan-2-one

Systemtic Name: 1-(3-phenylsulfanylpropyl)azepan-2-one Openeye Name: 1-(3-phenylsulfanylpropyl)azepan-2-one CAS Name: 1-[3-(phenylthio)propyl]-2-azepanone IUPAC Name: 1-(3-phenylsulfanylpropyl)azepan-2-one Traditional Name: 1-[3-(phenylthio)propyl]azepan-2-one Formula: C15H21NOS MolecularWeight: 263.39834

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCSC2=CC=CC=C2

Isomeric SMILES

C1CCC(=O)N(CC1)CCCSC2=CC=CC=C2

InChI

InChI=1S/C15H21NOS/c17-15-10-5-2-6-11-16(15)12-7-13-18-14-8-3-1-4-9-14/h1,3-4,8-9H,2,5-7,10-13H2