N'-[2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanylethanoyl]-4-nitro-benzohydrazide

Systemtic Name: N'-[2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanylethanoyl]-4-nitro-benzohydrazide Openeye Name: N'-[2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanylacetyl]-4-nitro-benzohydrazide CAS Name: N'-[2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-1-oxoethyl]-4-nitrobenzohydrazide IUPAC Name: N'-[2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanylacetyl]-4-nitrobenzohydrazide Traditional Name: N'-[2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]acetyl]-4-nitro-benzohydrazide Formula: C16H12N7O4S+ MolecularWeight: 398.37598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NNC(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NNC(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H11N7O4S/c17-6-10-5-11(7-18)16(20-14(10)19)28-8-13(24)21-22-15(25)9-1-3-12(4-2-9)23(26)27/h1-5H,8H2,(H2,19,20)(H,21,24)(H,22,25)/p+1