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4-Methyl-5-[(1-phenyl-3-methyl-5-(4-methylphenylcarbonyloxy)pyrazol-4-yl)carbonyl]-1,2,3-thiadiazole
SpectraBase Compound ID 7DhjDyOpivh
InChI InChI=1S/C22H18N4O3S/c1-13-9-11-16(12-10-13)22(28)29-21-18(19(27)20-15(3)23-25-30-20)14(2)24-26(21)17-7-5-4-6-8-17/h4-12H,1-3H3
InChIKey USOMGWHMBLTAHP-UHFFFAOYSA-N
Mol Weight 418.47 g/mol
Molecular Formula C22H18N4O3S
Exact Mass 418.109962 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C0DDJ6moVmB
Name 4-Methyl-5-[(1-phenyl-3-methyl-5-(4-methylphenylcarbonyloxy)pyrazol-4-yl)carbonyl]-1,2,3-thiadiazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18N4O3S
InChI InChI=1S/C22H18N4O3S/c1-13-9-11-16(12-10-13)22(28)29-21-18(19(27)20-15(3)23-25-30-20)14(2)24-26(21)17-7-5-4-6-8-17/h4-12H,1-3H3
InChIKey USOMGWHMBLTAHP-UHFFFAOYSA-N
Molecular Weight 418.471 g/mol
SMILES c1(nnsc1C(=O)c1c(n[n](c1OC(=O)c1ccc(cc1)C)-c1ccccc1)C)C
SPLASH splash10-0h93-3390000000-39648f55f2c371dd8d9b
Source of Spectrum Y-49-735-3d
Synonyms 4-Methylbenzoic 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-methylbenzoate [5-methyl-4-(4-methylthiadiazole-5-carbonyl)-2-phenyl-pyrazol-3-yl] 4-methylbenzoate [5-methyl-4-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-2-phenyl-pyrazol-3-yl] 4-methylbenzoate
Wiley ID 1716754