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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(5-methylisoxazol-3-yl)acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-(5-methyl-3-isoxazolyl)acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-(5-methylisoxazol-3-yl)acetamide Formula: C13H11N6O2S+ MolecularWeight: 315.33044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

InChI=1S/C13H10N6O2S/c1-7-2-10(19-21-7)17-11(20)6-22-13-9(5-15)3-8(4-14)12(16)18-13/h2-3H,6H2,1H3,(H2,16,18)(H,17,19,20)/p+1