2-[3-cyano-4-propyl-6-(trifluoromethylsulfonylmethyl)pyridin-2-yl]sulfanylethanamide

Systemtic Name: 2-[3-cyano-4-propyl-6-(trifluoromethylsulfonylmethyl)pyridin-2-yl]sulfanylethanamide Openeye Name: 2-[[3-cyano-4-propyl-6-(trifluoromethylsulfonylmethyl)-2-pyridyl]sulfanyl]acetamide CAS Name: 2-[[3-cyano-4-propyl-6-(trifluoromethylsulfonylmethyl)-2-pyridinyl]thio]acetamide IUPAC Name: 2-[3-cyano-4-propyl-6-(trifluoromethylsulfonylmethyl)pyridin-2-yl]sulfanylacetamide Traditional Name: 2-[[3-cyano-4-propyl-6-(triflylmethyl)-2-pyridyl]thio]acetamide Formula: C13H14F3N3O3S2 MolecularWeight: 381.39377

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=C1C#N)SCC(=O)N)CS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCC1=CC(=NC(=C1C#N)SCC(=O)N)CS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C13H14F3N3O3S2/c1-2-3-8-4-9(7-24(21,22)13(14,15)16)19-12(10(8)5-17)23-6-11(18)20/h4H,2-3,6-7H2,1H3,(H2,18,20)