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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-pentan-3-yl-ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(1-ethylpropyl)acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-pentan-3-ylacetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-pentan-3-ylacetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-(1-ethylpropyl)acetamide Formula: C14H18N5OS+ MolecularWeight: 304.39062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)CSC1=C(C=C(C(=[NH+]1)N)C#N)C#N

Isomeric SMILES

CCC(CC)NC(=O)CSC1=C(C=C(C(=[NH+]1)N)C#N)C#N

InChI

InChI=1S/C14H17N5OS/c1-3-11(4-2)18-12(20)8-21-14-10(7-16)5-9(6-15)13(17)19-14/h5,11H,3-4,8H2,1-2H3,(H2,17,19)(H,18,20)/p+1