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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-ethyl-N-phenyl-ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-ethyl-N-phenyl-acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-ethyl-N-phenylacetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-ethyl-N-phenylacetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-ethyl-N-phenyl-acetamide Formula: C17H16N5OS+ MolecularWeight: 338.40684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5OS/c1-2-22(14-6-4-3-5-7-14)15(23)11-24-17-13(10-19)8-12(9-18)16(20)21-17/h3-8H,2,11H2,1H3,(H2,20,21)/p+1