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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(2-fluoranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(2-fluoro-4-methyl-phenyl)acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-(2-fluoro-4-methylphenyl)acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(2-fluoro-4-methylphenyl)acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-(2-fluoro-4-methyl-phenyl)acetamide Formula: C16H13FN5OS+ MolecularWeight: 342.370723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N)F

InChI

InChI=1S/C16H12FN5OS/c1-9-2-3-13(12(17)4-9)21-14(23)8-24-16-11(7-19)5-10(6-18)15(20)22-16/h2-5H,8H2,1H3,(H2,20,22)(H,21,23)/p+1