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

Systemtic Name: N'-[2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanylethanoyl]benzohydrazide Openeye Name: N'-[2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanylacetyl]benzohydrazide CAS Name: N'-[2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-1-oxoethyl]benzohydrazide IUPAC Name: N'-[2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanylacetyl]benzohydrazide Traditional Name: N'-[2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]acetyl]benzohydrazide Formula: C16H13N6O2S+ MolecularWeight: 353.37842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N6O2S/c17-7-11-6-12(8-18)16(20-14(11)19)25-9-13(23)21-22-15(24)10-4-2-1-3-5-10/h1-6H,9H2,(H2,19,20)(H,21,23)(H,22,24)/p+1