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4-(3-Methyl-[1,2,5]diazathiol-4-ylcarbonyl)-2-(4-fluorophenyl)-5-methyl-3-hydroxypyrazole
SpectraBase Compound ID K5Ul8ToKEo4
InChI InChI=1S/C14H11FN4O2S/c1-7-11(12(20)13-8(2)16-18-22-13)14(21)19(17-7)10-5-3-9(15)4-6-10/h3-6,21H,1-2H3
InChIKey YOFCBLALBBGTHS-UHFFFAOYSA-N
Mol Weight 318.33 g/mol
Molecular Formula C14H11FN4O2S
Exact Mass 318.058675 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FpnN2HxfJvD
Name 4-(3-Methyl-[1,2,5]diazathiol-4-ylcarbonyl)-2-(4-fluorophenyl)-5-methyl-3-hydroxypyrazole
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Formula C14H11FN4O2S
InChI InChI=1S/C14H11FN4O2S/c1-7-11(12(20)13-8(2)16-18-22-13)14(21)19(17-7)10-5-3-9(15)4-6-10/h3-6,21H,1-2H3
InChIKey YOFCBLALBBGTHS-UHFFFAOYSA-N
Molecular Weight 318.326 g/mol
SMILES Oc1c(C(c2c(nns2)C)=O)c(n[n]1-c1ccc(cc1)F)C
SPLASH splash10-00mn-6390000000-d4368991939b5242437d
Source of Spectrum J-50-1384-3c
Synonyms (1-(4-fluorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl)(4-methyl-1,2,3-thiadiazol-5-yl)methanone
Wiley ID 1741095