1-(azepan-1-yl)-2-[(3-bromophenyl)methylsulfanyl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[(3-bromophenyl)methylsulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[(3-bromophenyl)methylsulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[(3-bromophenyl)methylthio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[(3-bromophenyl)methylsulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[(3-bromobenzyl)thio]ethanone Formula: C15H20BrNOS MolecularWeight: 342.2944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSCC2=CC(=CC=C2)Br

Isomeric SMILES

C1CCCN(CC1)C(=O)CSCC2=CC(=CC=C2)Br

InChI

InChI=1S/C15H20BrNOS/c16-14-7-5-6-13(10-14)11-19-12-15(18)17-8-3-1-2-4-9-17/h5-7,10H,1-4,8-9,11-12H2