1-(azepan-1-yl)-2-(4-methylphenyl)sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(4-methylphenyl)sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-(p-tolylsulfanyl)ethanone CAS Name: 1-(1-azepanyl)-2-[(4-methylphenyl)thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-(4-methylphenyl)sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-(p-tolylthio)ethanone Formula: C15H21NOS MolecularWeight: 263.39834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)N2CCCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)N2CCCCCC2

InChI

InChI=1S/C15H21NOS/c1-13-6-8-14(9-7-13)18-12-15(17)16-10-4-2-3-5-11-16/h6-9H,2-5,10-12H2,1H3