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

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(4-fluorophenyl)pyridin-1-ium-2-yl]sulfanyl-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[6-amino-3,5-dicyano-4-(4-fluorophenyl)pyridin-1-ium-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-fluorophenyl)-2-pyridin-1-iumyl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(4-fluorophenyl)pyridin-1-ium-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(4-fluorophenyl)pyridin-1-ium-2-yl]thio]-N-(3-nitrophenyl)acetamide Formula: C21H14FN6O3S+ MolecularWeight: 449.437663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13FN6O3S/c22-13-6-4-12(5-7-13)19-16(9-23)20(25)27-21(17(19)10-24)32-11-18(29)26-14-2-1-3-15(8-14)28(30)31/h1-8H,11H2,(H2,25,27)(H,26,29)/p+1