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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-1-ium-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-4-phenyl-pyridin-1-ium-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridin-1-iumyl)thio]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-(6-amino-3,5-dicyano-4-phenylpyridin-1-ium-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-4-phenyl-pyridin-1-ium-2-yl)thio]-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C22H15F3N5OS+ MolecularWeight: 454.44761

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)NC3=CC=CC=C3C(F)(F)F)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)NC3=CC=CC=C3C(F)(F)F)N)C#N

InChI

InChI=1S/C22H14F3N5OS/c23-22(24,25)16-8-4-5-9-17(16)29-18(31)12-32-21-15(11-27)19(13-6-2-1-3-7-13)14(10-26)20(28)30-21/h1-9H,12H2,(H2,28,30)(H,29,31)/p+1