[6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-4-methyl-pyridin-2-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-4-methyl-pyridin-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: [6-(2-amino-2-oxo-ethyl)sulfanyl-5-cyano-4-methyl-2-pyridyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [6-[(2-amino-2-oxoethyl)thio]-5-cyano-4-methyl-2-pyridinyl] ester IUPAC Name: [6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-methylpyridin-2-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [6-[(2-amino-2-keto-ethyl)thio]-5-cyano-4-methyl-2-pyridyl] ester Formula: C10H8F3N3O4S2 MolecularWeight: 355.31343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)N)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)N)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C10H8F3N3O4S2/c1-5-2-8(20-22(18,19)10(11,12)13)16-9(6(5)3-14)21-4-7(15)17/h2H,4H2,1H3,(H2,15,17)