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(Z)-5-(2-((1-(3,4-Dichlorobenzyl)-1H-1,2,3-triazol-4-yl)methoxy)benzylidene)-2-(pyridin-4-ylamino)thiazol-4(5H)-one
SpectraBase Compound ID 86b2vseR8Wd
InChI InChI=1S/C25H18Cl2N6O2S/c26-20-6-5-16(11-21(20)27)13-33-14-19(31-32-33)15-35-22-4-2-1-3-17(22)12-23-24(34)30-25(36-23)29-18-7-9-28-10-8-18/h1-12,14H,13,15H2,(H,28,29,30,34)/b23-12-
InChIKey KPGMMTVBXMYKRC-FMCGGJTJSA-N
Mol Weight 537.43 g/mol
Molecular Formula C25H18Cl2N6O2S
Exact Mass 536.0589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JKPFkHbD1sk
Name (Z)-5-(2-((1-(3,4-Dichlorobenzyl)-1H-1,2,3-triazol-4-yl)methoxy)benzylidene)-2-(pyridin-4-ylamino)thiazol-4(5H)-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H18Cl2N6O2S
InChI InChI=1S/C25H18Cl2N6O2S/c26-20-6-5-16(11-21(20)27)13-33-14-19(31-32-33)15-35-22-4-2-1-3-17(22)12-23-24(34)30-25(36-23)29-18-7-9-28-10-8-18/h1-12,14H,13,15H2,(H,28,29,30,34)/b23-12-
InChIKey KPGMMTVBXMYKRC-FMCGGJTJSA-N
Instrument Name Finnigan-Mat 8430
Ionization Type EI
Literature Reference DOI 10.1002/aoc.5962
Molecular Weight 537.425 g/mol
SMILES N(C1=NC(\C(=C\c2ccccc2OCc2nn[n](c2)Cc2ccc(c(c2)Cl)Cl)S1)=O)c1ccncc1
SPLASH splash10-005i-3900000000-88d0973f6d0c2ecb0593
Source of Spectrum AOC-34-SM33-9g
Wiley ID 1855745