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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=C(C=C3)F)C#N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=C(C=C3)F)C#N

InChI

InChI=1S/C22H16FN5OS/c1-13-3-2-4-16(9-13)27-19(29)12-30-22-18(11-25)20(17(10-24)21(26)28-22)14-5-7-15(23)8-6-14/h2-9H,12H2,1H3,(H2,26,28)(H,27,29)/p+1