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

Systemtic Name: [6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-4-cyclopropyl-pyridin-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: [6-(2-amino-2-oxo-ethyl)sulfanyl-5-cyano-4-cyclopropyl-2-pyridyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [6-[(2-amino-2-oxoethyl)thio]-5-cyano-4-cyclopropyl-2-pyridinyl] ester IUPAC Name: [6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-cyclopropylpyridin-2-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [6-[(2-amino-2-keto-ethyl)thio]-5-cyano-4-cyclopropyl-2-pyridyl] ester Formula: C12H10F3N3O4S2 MolecularWeight: 381.35071

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=NC(=C2C#N)SCC(=O)N)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1CC1C2=CC(=NC(=C2C#N)SCC(=O)N)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C12H10F3N3O4S2/c13-12(14,15)24(20,21)22-10-3-7(6-1-2-6)8(4-16)11(18-10)23-5-9(17)19/h3,6H,1-2,5H2,(H2,17,19)