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

Systemtic Name: (2R)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-ethyl-propanamide Openeye Name: (2R)-2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-ethyl-propanamide CAS Name: (2R)-2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-ethylpropanamide IUPAC Name: (2R)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-ethylpropanamide Traditional Name: (2R)-2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-ethyl-propionamide Formula: C12H14N5OS+ MolecularWeight: 276.33746

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)SC1=C(C=C(C(=[NH+]1)N)C#N)C#N

Isomeric SMILES

CCNC(=O)[C@@H](C)SC1=C(C=C(C(=[NH+]1)N)C#N)C#N

InChI

InChI=1S/C12H13N5OS/c1-3-16-11(18)7(2)19-12-9(6-14)4-8(5-13)10(15)17-12/h4,7H,3H2,1-2H3,(H2,15,17)(H,16,18)/p+1/t7-/m1/s1