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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-pyridin-2-yl-ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(2-pyridyl)acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-(2-pyridinyl)acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-pyridin-2-ylacetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-(2-pyridyl)acetamide Formula: C14H11N6OS+ MolecularWeight: 311.34174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N6OS/c15-6-9-5-10(7-16)14(20-13(9)17)22-8-12(21)19-11-3-1-2-4-18-11/h1-5H,8H2,(H2,17,20)(H,18,19,21)/p+1