2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(4-ethanoylphenyl)ethanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(4-ethanoylphenyl)ethanamide Openeye Name: N-(4-acetylphenyl)-2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(4-acetylphenyl)-2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(4-acetylphenyl)-2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]acetamide Formula: C17H14N5O2S+ MolecularWeight: 352.39036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N5O2S/c1-10(23)11-2-4-14(5-3-11)21-15(24)9-25-17-13(8-19)6-12(7-18)16(20)22-17/h2-6H,9H2,1H3,(H2,20,22)(H,21,24)/p+1