2-[2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanylethanoylamino]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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