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4-Methyl-5-[(1-phenyl-3-methyl-5-(4-chlorophenylcarbonyloxy)pyrazol-4-yl)carbonyl]-1,2,3-thiadiazole
SpectraBase Compound ID Ar5anHpW8t3
InChI InChI=1S/C21H15ClN4O3S/c1-12-17(18(27)19-13(2)23-25-30-19)20(26(24-12)16-6-4-3-5-7-16)29-21(28)14-8-10-15(22)11-9-14/h3-11H,1-2H3
InChIKey UUIGTCCEKRGHLK-UHFFFAOYSA-N
Mol Weight 438.89 g/mol
Molecular Formula C21H15ClN4O3S
Exact Mass 438.055339 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8wWgavtDGQb
Name 4-Methyl-5-[(1-phenyl-3-methyl-5-(4-chlorophenylcarbonyloxy)pyrazol-4-yl)carbonyl]-1,2,3-thiadiazole
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Formula C21H15ClN4O3S
InChI InChI=1S/C21H15ClN4O3S/c1-12-17(18(27)19-13(2)23-25-30-19)20(26(24-12)16-6-4-3-5-7-16)29-21(28)14-8-10-15(22)11-9-14/h3-11H,1-2H3
InChIKey UUIGTCCEKRGHLK-UHFFFAOYSA-N
Molecular Weight 438.889 g/mol
SMILES c1(nnsc1C(=O)c1c(n[n](c1OC(=O)c1ccc(cc1)Cl)-c1ccccc1)C)C
SPLASH splash10-000i-0900000000-18bdf1e0a40388057b22
Source of Spectrum Y-49-735-3i
Synonyms 4-Chlorobenzoic 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] 4-chlorobenzoate [5-methyl-4-(4-methylthiadiazole-5-carbonyl)-2-phenyl-pyrazol-3-yl] 4-chlorobenzoate [5-methyl-4-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-2-phenyl-pyrazol-3-yl] 4-chloranylbenzoate
Wiley ID 1716753