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

Systemtic Name: (2S)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(3-fluoranyl-4-methyl-phenyl)propanamide Openeye Name: (2S)-2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(3-fluoro-4-methyl-phenyl)propanamide CAS Name: (2S)-2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-(3-fluoro-4-methylphenyl)propanamide IUPAC Name: (2S)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(3-fluoro-4-methylphenyl)propanamide Traditional Name: (2S)-2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-(3-fluoro-4-methyl-phenyl)propionamide Formula: C17H15FN5OS+ MolecularWeight: 356.397303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=C(C=C(C(=[NH+]2)N)C#N)C#N)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)SC2=C(C=C(C(=[NH+]2)N)C#N)C#N)F

InChI

InChI=1S/C17H14FN5OS/c1-9-3-4-13(6-14(9)18)22-16(24)10(2)25-17-12(8-20)5-11(7-19)15(21)23-17/h3-6,10H,1-2H3,(H2,21,23)(H,22,24)/p+1/t10-/m0/s1