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2-Oxo-2-phenyl-1-(1H-1,2,4-triazol-1-yl)ethyl 2-(5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-ylthio)acetate
SpectraBase Compound ID 3Zx7jfOyZ3x
InChI InChI=1S/C21H17N5O5S/c1-29-16-10-6-5-9-15(16)19-24-25-21(31-19)32-11-17(27)30-20(26-13-22-12-23-26)18(28)14-7-3-2-4-8-14/h2-10,12-13,20H,11H2,1H3
InChIKey AOCYTOYSDLGOJP-UHFFFAOYSA-N
Mol Weight 451.46 g/mol
Molecular Formula C21H17N5O5S
Exact Mass 451.09504 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 20H0eMd6Cy3
Name 2-Oxo-2-phenyl-1-(1H-1,2,4-triazol-1-yl)ethyl 2-(5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-ylthio)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17N5O5S
InChI InChI=1S/C21H17N5O5S/c1-29-16-10-6-5-9-15(16)19-24-25-21(31-19)32-11-17(27)30-20(26-13-22-12-23-26)18(28)14-7-3-2-4-8-14/h2-10,12-13,20H,11H2,1H3
InChIKey AOCYTOYSDLGOJP-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.199900036
Molecular Weight 451.457 g/mol
SMILES c1(nnc(o1)-c1c(cccc1)OC)SCC(=O)OC(C(c1ccccc1)=O)[n]1cncn1
SPLASH splash10-0a70-0920000000-ca337d265c2d31a1055d
Source of Spectrum QA-46-232-5d
Synonyms 2-Oxo-2-phenyl-1-(1H-1,2,4-triazol-1-yl)ethyl 2-((5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetate
Wiley ID 1795088