azepan-1-yl-(4-methylsulfanyl-3-nitro-phenyl)methanone

Systemtic Name: azepan-1-yl-(4-methylsulfanyl-3-nitro-phenyl)methanone Openeye Name: azepan-1-yl-(4-methylsulfanyl-3-nitro-phenyl)methanone CAS Name: 1-azepanyl-[4-(methylthio)-3-nitrophenyl]methanone IUPAC Name: azepan-1-yl-(4-methylsulfanyl-3-nitrophenyl)methanone Traditional Name: azepan-1-yl-[4-(methylthio)-3-nitro-phenyl]methanone Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)N2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)N2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O3S/c1-20-13-7-6-11(10-12(13)16(18)19)14(17)15-8-4-2-3-5-9-15/h6-7,10H,2-5,8-9H2,1H3