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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-4-thiophen-2-yl-pyridin-1-ium-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[6-amino-3,5-dicyano-4-(2-thienyl)pyridin-1-ium-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridin-1-iumyl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-(6-amino-3,5-dicyano-4-thiophen-2-ylpyridin-1-ium-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(2-thienyl)pyridin-1-ium-2-yl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C20H13F3N5OS2+ MolecularWeight: 460.47533

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=CS3)C#N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=CS3)C#N)C(F)(F)F

InChI

InChI=1S/C20H12F3N5OS2/c21-20(22,23)11-3-1-4-12(7-11)27-16(29)10-31-19-14(9-25)17(15-5-2-6-30-15)13(8-24)18(26)28-19/h1-7H,10H2,(H2,26,28)(H,27,29)/p+1