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4-Methyl-5-[(1-phenyl-3-methyl-5-(2-fluorophenylcarbonyloxy)pyrazol-4-yl)carbonyl]-1,2,3-thiadiazole
SpectraBase Compound ID BrBntDz5CL4
InChI InChI=1S/C21H15FN4O3S/c1-12-17(18(27)19-13(2)23-25-30-19)20(26(24-12)14-8-4-3-5-9-14)29-21(28)15-10-6-7-11-16(15)22/h3-11H,1-2H3
InChIKey GKNHEZJHHGEEAV-UHFFFAOYSA-N
Mol Weight 422.43 g/mol
Molecular Formula C21H15FN4O3S
Exact Mass 422.08489 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AxzMAyZQUlE
Name 4-Methyl-5-[(1-phenyl-3-methyl-5-(2-fluorophenylcarbonyloxy)pyrazol-4-yl)carbonyl]-1,2,3-thiadiazole
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Formula C21H15FN4O3S
InChI InChI=1S/C21H15FN4O3S/c1-12-17(18(27)19-13(2)23-25-30-19)20(26(24-12)14-8-4-3-5-9-14)29-21(28)15-10-6-7-11-16(15)22/h3-11H,1-2H3
InChIKey GKNHEZJHHGEEAV-UHFFFAOYSA-N
Molecular Weight 422.434 g/mol
SMILES c1(nnsc1C(=O)c1c(n[n](c1OC(=O)c1c(cccc1)F)-c1ccccc1)C)C
SPLASH splash10-00dl-4490000000-a287fd07234667234b87
Source of Spectrum Y-49-735-3c
Synonyms 2-Fluorobenzoic acid [5-methyl-4-[(4-methyl-5-thiadiazolyl)-oxomethyl]-2-phenyl-3-pyrazolyl] ester [5-methyl-4-(4-methylthiadiazole-5-carbonyl)-2-phenylpyrazol-3-yl] 2-fluorobenzoate [5-methyl-4-(4-methylthiadiazole-5-carbonyl)-2-phenyl-pyrazol-3-yl] 2-fluorobenzoate [5-methyl-4-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-2-phenyl-pyrazol-3-yl] 2-fluoranylbenzoate
Wiley ID 1716755