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.omega.-[5-(m-Chlorophenyl)-1,3,4-oxadiazol-2-thiolacetoxy]-.omega.-(1H-1,2,4-triazol-1-yl)acetophenone
SpectraBase Compound ID 2Wsr5Kchc48
InChI InChI=1S/C20H14ClN5O4S/c21-15-8-4-7-14(9-15)18-24-25-20(30-18)31-10-16(27)29-19(26-12-22-11-23-26)17(28)13-5-2-1-3-6-13/h1-9,11-12,19H,10H2
InChIKey GNAZGZZXEUKPRY-UHFFFAOYSA-N
Mol Weight 455.88 g/mol
Molecular Formula C20H14ClN5O4S
Exact Mass 455.045503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A8wJipYWpOE
Name .omega.-[5-(m-Chlorophenyl)-1,3,4-oxadiazol-2-thiolacetoxy]-.omega.-(1H-1,2,4-triazol-1-yl)acetophenone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H14ClN5O4S
InChI InChI=1S/C20H14ClN5O4S/c21-15-8-4-7-14(9-15)18-24-25-20(30-18)31-10-16(27)29-19(26-12-22-11-23-26)17(28)13-5-2-1-3-6-13/h1-9,11-12,19H,10H2
InChIKey GNAZGZZXEUKPRY-UHFFFAOYSA-N
Molecular Weight 455.876 g/mol
SMILES C([n]1ncnc1)(C(=O)c1ccccc1)OC(=O)CSc1oc(-c2cc(Cl)ccc2)nn1
SPLASH splash10-0a4i-1950000000-2a21fa249fa77ac4cb06
Source of Spectrum QA-46-232-5
Synonyms 2-Oxo-2-phenyl-1-(1H-1,2,4-triazol-1-yl)ethyl {[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate
Wiley ID 863156