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(Z)-5-(2-((1-(2-Chlorobenzyl)-1H-1,2,3-triazol-4-yl)methoxy)benzylidene)-2-(pyridin-4-ylamino)thiazol-4(5H)-one
SpectraBase Compound ID 1YGNAnJD3br
InChI InChI=1S/C25H19ClN6O2S/c26-21-7-3-1-6-18(21)14-32-15-20(30-31-32)16-34-22-8-4-2-5-17(22)13-23-24(33)29-25(35-23)28-19-9-11-27-12-10-19/h1-13,15H,14,16H2,(H,27,28,29,33)/b23-13-
InChIKey SEGUUDCWRDBGGL-QRVIBDJDSA-N
Mol Weight 502.98 g/mol
Molecular Formula C25H19ClN6O2S
Exact Mass 502.097873 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1BBDr5kbbWd
Name (Z)-5-(2-((1-(2-Chlorobenzyl)-1H-1,2,3-triazol-4-yl)methoxy)benzylidene)-2-(pyridin-4-ylamino)thiazol-4(5H)-one
Appearance Cream solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H19ClN6O2S
InChI InChI=1S/C25H19ClN6O2S/c26-21-7-3-1-6-18(21)14-32-15-20(30-31-32)16-34-22-8-4-2-5-17(22)13-23-24(33)29-25(35-23)28-19-9-11-27-12-10-19/h1-13,15H,14,16H2,(H,27,28,29,33)/b23-13-
InChIKey SEGUUDCWRDBGGL-QRVIBDJDSA-N
Instrument Name Finnigan-Mat 8430
Ionization Type EI
Literature Reference DOI 10.1002/aoc.5962
Molecular Weight 502.980 g/mol
SMILES N(C1=NC(\C(=C\c2ccccc2OCc2nn[n](c2)Cc2ccccc2Cl)S1)=O)c1ccncc1
SPLASH splash10-0abi-9511000000-0f2bfa669b72edc3839b
Source of Spectrum AOC-34-SM29-9e
Wiley ID 1855743