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1-(azepan-1-yl)-2-(2-nitrothiophen-3-yl)sulfanyl-ethanone

1-(azepan-1-yl)-2-(2-nitrothiophen-3-yl)sulfanyl-ethanone

Systemtic Name:1-(azepan-1-yl)-2-(2-nitrothiophen-3-yl)sulfanyl-ethanone
Openeye Name:1-(azepan-1-yl)-2-[(2-nitro-3-thienyl)sulfanyl]ethanone
CAS Name:1-(1-azepanyl)-2-[(2-nitro-3-thiophenyl)thio]ethanone
IUPAC Name:1-(azepan-1-yl)-2-(2-nitrothiophen-3-yl)sulfanylethanone
Traditional Name:1-(azepan-1-yl)-2-[(2-nitro-3-thienyl)thio]ethanone
Formula: C12H16N2O3S2
MolecularWeight: 300.39704
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=C(SC=C2)[N+](=O)[O-]


Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=C(SC=C2)[N+](=O)[O-]


InChI

InChI=1S/C12H16N2O3S2/c15-11(13-6-3-1-2-4-7-13)9-19-10-5-8-18-12(10)14(16)17/h5,8H,1-4,6-7,9H2


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