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(Z)-5-(4-((1-Benzyl-1H-1,2,3-triazol-4-yl)methoxy)benzylidene)-2-((4-chlorophenyl)amino)thiazol-4(5H)-one
SpectraBase Compound ID AGnyrwxctpk
InChI InChI=1S/C26H20ClN5O2S/c27-20-8-10-21(11-9-20)28-26-29-25(33)24(35-26)14-18-6-12-23(13-7-18)34-17-22-16-32(31-30-22)15-19-4-2-1-3-5-19/h1-14,16H,15,17H2,(H,28,29,33)/b24-14-
InChIKey LDHBIVHNORXQQO-OYKKKHCWSA-N
Mol Weight 501.99 g/mol
Molecular Formula C26H20ClN5O2S
Exact Mass 501.102624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4X034E0O6C
Name (Z)-5-(4-((1-Benzyl-1H-1,2,3-triazol-4-yl)methoxy)benzylidene)-2-((4-chlorophenyl)amino)thiazol-4(5H)-one
Appearance Cream solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H20ClN5O2S
InChI InChI=1S/C26H20ClN5O2S/c27-20-8-10-21(11-9-20)28-26-29-25(33)24(35-26)14-18-6-12-23(13-7-18)34-17-22-16-32(31-30-22)15-19-4-2-1-3-5-19/h1-14,16H,15,17H2,(H,28,29,33)/b24-14-
InChIKey LDHBIVHNORXQQO-OYKKKHCWSA-N
Instrument Name Finnigan-Mat 8430
Ionization Type EI
Literature Reference DOI 10.1002/aoc.5962
Molecular Weight 501.992 g/mol
SMILES N(C=1S\C(=C/c2ccc(OCc3c[n](Cc4ccccc4)nn3)cc2)C(N1)=O)c1ccc(cc1)Cl
SPLASH splash10-0f6x-5902000000-44645715c21d9871995a
Source of Spectrum AOC-34-SM50-10i
Wiley ID 1855737