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

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(4-fluorophenyl)pyridin-1-ium-2-yl]sulfanyl-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[6-amino-3,5-dicyano-4-(4-fluorophenyl)pyridin-1-ium-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-fluorophenyl)-2-pyridin-1-iumyl]thio]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(4-fluorophenyl)pyridin-1-ium-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(4-fluorophenyl)pyridin-1-ium-2-yl]thio]-N-(4-methoxyphenyl)acetamide Formula: C22H17FN5O2S+ MolecularWeight: 434.466083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=C(C=C3)F)C#N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=C(C=C3)F)C#N

InChI

InChI=1S/C22H16FN5O2S/c1-30-16-8-6-15(7-9-16)27-19(29)12-31-22-18(11-25)20(17(10-24)21(26)28-22)13-2-4-14(23)5-3-13/h2-9H,12H2,1H3,(H2,26,28)(H,27,29)/p+1