N-[(4-nitrophenyl)carbamoyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(4-nitrophenyl)carbamoyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[(4-nitrophenyl)carbamoyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[(4-nitroanilino)-oxomethyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[(4-nitrophenyl)carbamoyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[(4-nitrophenyl)carbamoyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C14H12N4O5S MolecularWeight: 348.33388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N4O5S/c19-12(9-24-13-3-1-2-8-17(13)21)16-14(20)15-10-4-6-11(7-5-10)18(22)23/h1-8H,9H2,(H2,15,16,19,20)