1-(azepan-1-yl)-3-(4-nitrophenyl)sulfanyl-propan-1-one

Systemtic Name: 1-(azepan-1-yl)-3-(4-nitrophenyl)sulfanyl-propan-1-one Openeye Name: 1-(azepan-1-yl)-3-(4-nitrophenyl)sulfanyl-propan-1-one CAS Name: 1-(1-azepanyl)-3-[(4-nitrophenyl)thio]-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-(4-nitrophenyl)sulfanylpropan-1-one Traditional Name: 1-(azepan-1-yl)-3-[(4-nitrophenyl)thio]propan-1-one Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)CCSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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