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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(2-chloranylpyridin-3-yl)ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(2-chloro-3-pyridyl)acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-(2-chloro-3-pyridinyl)acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(2-chloropyridin-3-yl)acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-(2-chloro-3-pyridyl)acetamide Formula: C14H10ClN6OS+ MolecularWeight: 345.7868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9ClN6OS/c15-12-10(2-1-3-19-12)20-11(22)7-23-14-9(6-17)4-8(5-16)13(18)21-14/h1-4H,7H2,(H2,18,21)(H,20,22)/p+1