N-(3-nitrophenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-nitrophenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-nitrophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(3-nitrophenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(3-nitrophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(3-nitrophenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C13H11N3O4S MolecularWeight: 305.30914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O4S/c17-12(9-21-13-6-1-2-7-15(13)18)14-10-4-3-5-11(8-10)16(19)20/h1-8H,9H2,(H,14,17)