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.omega.-[5-(o-Chlorophenyl)-1,3,4-oxadiazol-2-thio]-.omega.-(1H-1,2,4-triazol-1-yl)acetophenone
SpectraBase Compound ID 41GJB80chKA
InChI InChI=1S/C18H12ClN5O2S/c19-14-9-5-4-8-13(14)16-22-23-18(26-16)27-17(24-11-20-10-21-24)15(25)12-6-2-1-3-7-12/h1-11,17H
InChIKey HXBBPLVZBUNPCG-UHFFFAOYSA-N
Mol Weight 397.84 g/mol
Molecular Formula C18H12ClN5O2S
Exact Mass 397.040024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IwIyZ6kb0mh
Name .omega.-[5-(o-Chlorophenyl)-1,3,4-oxadiazol-2-thio]-.omega.-(1H-1,2,4-triazol-1-yl)acetophenone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12ClN5O2S
InChI InChI=1S/C18H12ClN5O2S/c19-14-9-5-4-8-13(14)16-22-23-18(26-16)27-17(24-11-20-10-21-24)15(25)12-6-2-1-3-7-12/h1-11,17H
InChIKey HXBBPLVZBUNPCG-UHFFFAOYSA-N
Molecular Weight 397.840 g/mol
SMILES C([n]1ncnc1)(Sc1oc(-c2c(Cl)cccc2)nn1)C(=O)c1ccccc1
SPLASH splash10-0a4i-0900000000-90569bfed15b1514ca51
Source of Spectrum QA-46-232-4
Synonyms 2-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-phenyl-2-(1H-1,2,4-triazol-1-yl)ethanone
Wiley ID 863163