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

Systemtic Name: (2R)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(2-ethanoylphenyl)propanamide Openeye Name: (2R)-N-(2-acetylphenyl)-2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-(2-acetylphenyl)-2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: (2R)-N-(2-acetylphenyl)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-(2-acetylphenyl)-2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]propionamide Formula: C18H16N5O2S+ MolecularWeight: 366.41694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)C)SC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C(=O)C)SC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

InChI=1S/C18H15N5O2S/c1-10(24)14-5-3-4-6-15(14)22-17(25)11(2)26-18-13(9-20)7-12(8-19)16(21)23-18/h3-7,11H,1-2H3,(H2,21,23)(H,22,25)/p+1/t11-/m1/s1