[2-chloranyl-5-(1,4-dimethyl-5-methylsulfanyl-pyrazol-3-yl)-4-fluoranyl-phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [2-chloranyl-5-(1,4-dimethyl-5-methylsulfanyl-pyrazol-3-yl)-4-fluoranyl-phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [2-chloro-5-(1,4-dimethyl-5-methylsulfanyl-pyrazol-3-yl)-4-fluoro-phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [2-chloro-5-[1,4-dimethyl-5-(methylthio)-3-pyrazolyl]-4-fluorophenyl] ester IUPAC Name: [2-chloro-5-(1,4-dimethyl-5-methylsulfanylpyrazol-3-yl)-4-fluorophenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [2-chloro-5-[1,4-dimethyl-5-(methylthio)pyrazol-3-yl]-4-fluoro-phenyl] ester Formula: C13H11ClF4N2O3S2 MolecularWeight: 418.814653

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C2=CC(=C(C=C2F)Cl)OS(=O)(=O)C(F)(F)F)C)SC

Isomeric SMILES

CC1=C(N(N=C1C2=CC(=C(C=C2F)Cl)OS(=O)(=O)C(F)(F)F)C)SC

InChI

InChI=1S/C13H11ClF4N2O3S2/c1-6-11(19-20(2)12(6)24-3)7-4-10(8(14)5-9(7)15)23-25(21,22)13(16,17)18/h4-5H,1-3H3