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.omega.-[5-(m-Methylphenyl)-1,3,4-oxadiazol-2-thiolacetoxy]-.omega.-(1H-1,2,4-triazol-1-yl)acetophenone
SpectraBase Compound ID 2XI73fchrTg
InChI InChI=1S/C21H17N5O4S/c1-14-6-5-9-16(10-14)19-24-25-21(30-19)31-11-17(27)29-20(26-13-22-12-23-26)18(28)15-7-3-2-4-8-15/h2-10,12-13,20H,11H2,1H3
InChIKey UUOCIBFHBDFZCV-UHFFFAOYSA-N
Mol Weight 435.46 g/mol
Molecular Formula C21H17N5O4S
Exact Mass 435.100125 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E3KTfmQh5h7
Name .omega.-[5-(m-Methylphenyl)-1,3,4-oxadiazol-2-thiolacetoxy]-.omega.-(1H-1,2,4-triazol-1-yl)acetophenone
Alternate Name(s) 2-Oxo-2-phenyl-1-(1H-1,2,4-triazol-1-yl)ethyl {[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17N5O4S
InChI InChI=1S/C21H17N5O4S/c1-14-6-5-9-16(10-14)19-24-25-21(30-19)31-11-17(27)29-20(26-13-22-12-23-26)18(28)15-7-3-2-4-8-15/h2-10,12-13,20H,11H2,1H3
InChIKey UUOCIBFHBDFZCV-UHFFFAOYSA-N
Molecular Weight 435.458 g/mol
SMILES C([n]1ncnc1)(C(=O)c1ccccc1)OC(=O)CSc1oc(-c2cc(C)ccc2)nn1
SPLASH splash10-0a4i-2900000000-3fce4e07057596adc350
Source of Spectrum QA-46-232-5
Wiley ID 863159