1-(4-methylphenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfanyl)ethanone bromide

Systemtic Name: 1-(4-methylphenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfanyl)ethanone bromide Openeye Name: 1-(p-tolyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfanyl)ethanone bromide CAS Name: 1-(4-methylphenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylthio)ethanone bromide IUPAC Name: 1-(4-methylphenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfanyl)ethanone bromide Traditional Name: 1-(p-tolyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylthio)ethanone bromide Formula: C15H19BrNOS- MolecularWeight: 341.28646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NCCCCC2.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NCCCCC2.[Br-]

InChI

InChI=1S/C15H19NOS.BrH/c1-12-6-8-13(9-7-12)14(17)11-18-15-5-3-2-4-10-16-15;/h6-9H,2-5,10-11H2,1H3;1H/p-1