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

Systemtic Name: 1-(3-nitrophenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfanyl)ethanone Openeye Name: 1-(3-nitrophenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfanyl)ethanone CAS Name: 1-(3-nitrophenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylthio)ethanone IUPAC Name: 1-(3-nitrophenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfanyl)ethanone Traditional Name: 1-(3-nitrophenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylthio)ethanone Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O3S/c17-13(10-20-14-7-2-1-3-8-15-14)11-5-4-6-12(9-11)16(18)19/h4-6,9H,1-3,7-8,10H2