1-(azepan-1-yl)-2-[(4-nitrophenyl)methylsulfanyl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[(4-nitrophenyl)methylsulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[(4-nitrophenyl)methylsulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[(4-nitrophenyl)methylthio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[(4-nitrophenyl)methylsulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[(4-nitrobenzyl)thio]ethanone Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O3S/c18-15(16-9-3-1-2-4-10-16)12-21-11-13-5-7-14(8-6-13)17(19)20/h5-8H,1-4,9-12H2