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2-(5-(5-methyl-1-p-tolyl-1H-1,2,3-triazol-4-yl)-1,3,4-oxadiazol-2-ylthio)-1-phenylethanone

View entire compound with spectra: 1 MS (GC)

2-(5-(5-methyl-1-p-tolyl-1H-1,2,3-triazol-4-yl)-1,3,4-oxadiazol-2-ylthio)-1-phenylethanone
SpectraBase Compound ID CdxDA6mb7c5
InChI InChI=1S/C20H17N5O2S/c1-13-8-10-16(11-9-13)25-14(2)18(21-24-25)19-22-23-20(27-19)28-12-17(26)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3
InChIKey NGDGPCGBGQKYBI-UHFFFAOYSA-N
Mol Weight 391.45 g/mol
Molecular Formula C20H17N5O2S
Exact Mass 391.110296 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ENWuRIRv8jx
Name 2-(5-(5-methyl-1-p-tolyl-1H-1,2,3-triazol-4-yl)-1,3,4-oxadiazol-2-ylthio)-1-phenylethanone
Alternate Name(s) 2-((5-(5-methyl-1-(p-tolyl)-1H-1,2,3-triazol-4-yl)-1,3,4-oxadiazol-2-yl)thio)-1-phenylethan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17N5O2S
InChI InChI=1S/C20H17N5O2S/c1-13-8-10-16(11-9-13)25-14(2)18(21-24-25)19-22-23-20(27-19)28-12-17(26)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3
InChIKey NGDGPCGBGQKYBI-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200200057
Molecular Weight 391.449 g/mol
SMILES c1(nnc(o1)-c1c([n](nn1)-c1ccc(cc1)C)C)SCC(c1ccccc1)=O
SPLASH splash10-0a4l-3904000000-94b75d65be63410964e3
Source of Spectrum QA-49-371-4b
Wiley ID 1795610