2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-N-[2,2,2-tris(fluoranyl)ethyl]ethanamide

Systemtic Name: 2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-N-[2,2,2-tris(fluoranyl)ethyl]ethanamide Openeye Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide CAS Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]-N-(2,2,2-trifluoroethyl)acetamide IUPAC Name: 2-(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide Traditional Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)thio]-N-(2,2,2-trifluoroethyl)acetamide Formula: C13H12F3N3O2S MolecularWeight: 331.31349

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC(=O)NCC(F)(F)F)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC(=O)NCC(F)(F)F)C#N)C(=O)C

InChI

InChI=1S/C13H12F3N3O2S/c1-7-10(8(2)20)3-9(4-17)12(19-7)22-5-11(21)18-6-13(14,15)16/h3H,5-6H2,1-2H3,(H,18,21)