3-nitro-N'-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]benzohydrazide

Systemtic Name: 3-nitro-N'-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]benzohydrazide Openeye Name: 3-nitro-N'-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]benzohydrazide CAS Name: 3-nitro-N'-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]benzohydrazide IUPAC Name: 3-nitro-N'-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]benzohydrazide Traditional Name: 3-nitro-N'-[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]benzohydrazide Formula: C14H12N4O5S MolecularWeight: 348.33388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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