2-[6-azanyl-3,5-dicyano-4-(4-fluorophenyl)pyridin-1-ium-2-yl]sulfanyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(4-fluorophenyl)pyridin-1-ium-2-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: 2-[6-amino-3,5-dicyano-4-(4-fluorophenyl)pyridin-1-ium-2-yl]sulfanyl-N-benzyl-acetamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-fluorophenyl)-2-pyridin-1-iumyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(4-fluorophenyl)pyridin-1-ium-2-yl]sulfanyl-N-benzylacetamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(4-fluorophenyl)pyridin-1-ium-2-yl]thio]-N-benzyl-acetamide Formula: C22H17FN5OS+ MolecularWeight: 418.466683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=C(C=C3)F)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=C(C=C3)F)C#N

InChI

InChI=1S/C22H16FN5OS/c23-16-8-6-15(7-9-16)20-17(10-24)21(26)28-22(18(20)11-25)30-13-19(29)27-12-14-4-2-1-3-5-14/h1-9H,12-13H2,(H2,26,28)(H,27,29)/p+1