[2-tert-butyl-5-methyl-4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]sulfanyl-pyrazol-3-yl] 2-ethylbutanoate

Systemtic Name: [2-tert-butyl-5-methyl-4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]sulfanyl-pyrazol-3-yl] 2-ethylbutanoate Openeye Name: [2-tert-butyl-5-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanyl-pyrazol-3-yl] 2-ethylbutanoate CAS Name: 2-ethylbutanoic acid [2-tert-butyl-5-methyl-4-[(2,3,4,5,6-pentafluorophenyl)thio]-3-pyrazolyl] ester IUPAC Name: [2-tert-butyl-5-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanylpyrazol-3-yl] 2-ethylbutanoate Traditional Name: 2-ethylbutyric acid [2-tert-butyl-5-methyl-4-[(2,3,4,5,6-pentafluorophenyl)thio]pyrazol-3-yl] ester Formula: C20H23F5N2O2S MolecularWeight: 450.465836

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)OC1=C(C(=NN1C(C)(C)C)C)SC2=C(C(=C(C(=C2F)F)F)F)F

Isomeric SMILES

CCC(CC)C(=O)OC1=C(C(=NN1C(C)(C)C)C)SC2=C(C(=C(C(=C2F)F)F)F)F

InChI

InChI=1S/C20H23F5N2O2S/c1-7-10(8-2)19(28)29-18-16(9(3)26-27(18)20(4,5)6)30-17-14(24)12(22)11(21)13(23)15(17)25/h10H,7-8H2,1-6H3