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

Systemtic Name: (2R)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(5-chloranylpyridin-2-yl)propanamide Openeye Name: (2R)-2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(5-chloro-2-pyridyl)propanamide CAS Name: (2R)-2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-(5-chloro-2-pyridinyl)propanamide IUPAC Name: (2R)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(5-chloropyridin-2-yl)propanamide Traditional Name: (2R)-2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-(5-chloro-2-pyridyl)propionamide Formula: C15H12ClN6OS+ MolecularWeight: 359.81338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=C(C=C1)Cl)SC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

C[C@H](C(=O)NC1=NC=C(C=C1)Cl)SC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

InChI=1S/C15H11ClN6OS/c1-8(14(23)21-12-3-2-11(16)7-20-12)24-15-10(6-18)4-9(5-17)13(19)22-15/h2-4,7-8H,1H3,(H2,19,22)(H,20,21,23)/p+1/t8-/m1/s1