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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C16H11F3N5OS+ MolecularWeight: 378.35165

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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)C#N)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C16H10F3N5OS/c17-16(18,19)11-2-1-3-12(5-11)23-13(25)8-26-15-10(7-21)4-9(6-20)14(22)24-15/h1-5H,8H2,(H2,22,24)(H,23,25)/p+1