(2R)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(2-chloranyl-4-fluoranyl-phenyl)propanamide

Systemtic Name: (2R)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(2-chloranyl-4-fluoranyl-phenyl)propanamide Openeye Name: (2R)-2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(2-chloro-4-fluoro-phenyl)propanamide CAS Name: (2R)-2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-(2-chloro-4-fluorophenyl)propanamide IUPAC Name: (2R)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(2-chloro-4-fluorophenyl)propanamide Traditional Name: (2R)-2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-(2-chloro-4-fluoro-phenyl)propionamide Formula: C16H12ClFN5OS+ MolecularWeight: 376.815783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClFN5OS/c1-8(15(24)22-13-3-2-11(18)5-12(13)17)25-16-10(7-20)4-9(6-19)14(21)23-16/h2-5,8H,1H3,(H2,21,23)(H,22,24)/p+1/t8-/m1/s1