N-(4-chloranyl-3-nitro-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-chloro-3-nitro-phenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(4-chloro-3-nitrophenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(4-chloro-3-nitro-phenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C13H10ClN3O4S MolecularWeight: 339.7542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])[O-]

InChI

InChI=1S/C13H10ClN3O4S/c14-10-5-4-9(7-11(10)17(20)21)15-12(18)8-22-13-3-1-2-6-16(13)19/h1-7H,8H2,(H,15,18)