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

Systemtic Name: [6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-4-propyl-pyridin-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: [6-(2-amino-2-oxo-ethyl)sulfanyl-5-cyano-4-propyl-2-pyridyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [6-[(2-amino-2-oxoethyl)thio]-5-cyano-4-propyl-2-pyridinyl] ester IUPAC Name: [6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-propylpyridin-2-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [6-[(2-amino-2-keto-ethyl)thio]-5-cyano-4-propyl-2-pyridyl] ester Formula: C12H12F3N3O4S2 MolecularWeight: 383.36659

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12F3N3O4S2/c1-2-3-7-4-10(22-24(20,21)12(13,14)15)18-11(8(7)5-16)23-6-9(17)19/h4H,2-3,6H2,1H3,(H2,17,19)