1-[(4-sulfanylphenyl)methyl]azepan-2-one

Systemtic Name: 1-[(4-sulfanylphenyl)methyl]azepan-2-one Openeye Name: 1-[(4-sulfanylphenyl)methyl]azepan-2-one CAS Name: 1-[(4-mercaptophenyl)methyl]-2-azepanone IUPAC Name: 1-[(4-sulfanylphenyl)methyl]azepan-2-one Traditional Name: 1-(4-mercaptobenzyl)azepan-2-one Formula: C13H17NOS MolecularWeight: 235.34518

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC2=CC=C(C=C2)S

Isomeric SMILES

C1CCC(=O)N(CC1)CC2=CC=C(C=C2)S

InChI

InChI=1S/C13H17NOS/c15-13-4-2-1-3-9-14(13)10-11-5-7-12(16)8-6-11/h5-8,16H,1-4,9-10H2