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

Systemtic Name: 1-(4-nitrophenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfanyl)ethanone bromide Openeye Name: 1-(4-nitrophenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfanyl)ethanone bromide CAS Name: 1-(4-nitrophenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylthio)ethanone bromide IUPAC Name: 1-(4-nitrophenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfanyl)ethanone bromide Traditional Name: 1-(4-nitrophenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylthio)ethanone bromide Formula: C14H16BrN2O3S- MolecularWeight: 372.25744

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1CCC(=NCC1)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C14H16N2O3S.BrH/c17-13(10-20-14-4-2-1-3-9-15-14)11-5-7-12(8-6-11)16(18)19;/h5-8H,1-4,9-10H2;1H/p-1