[5-cyano-6-(2-oxidanylidenepropylsulfanyl)-4-propyl-pyridin-2-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [5-cyano-6-(2-oxidanylidenepropylsulfanyl)-4-propyl-pyridin-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: (6-acetonylsulfanyl-5-cyano-4-propyl-2-pyridyl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [5-cyano-6-(2-oxopropylthio)-4-propyl-2-pyridinyl] ester IUPAC Name: [5-cyano-6-(2-oxopropylsulfanyl)-4-propylpyridin-2-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [6-(acetonylthio)-5-cyano-4-propyl-2-pyridyl] ester Formula: C13H13F3N2O4S2 MolecularWeight: 382.37853

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13F3N2O4S2/c1-3-4-9-5-11(22-24(20,21)13(14,15)16)18-12(10(9)6-17)23-7-8(2)19/h5H,3-4,7H2,1-2H3