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Ethyl 4-amino-3-(5-ethylthio-4-phenyl-4H-1,2,4-triazol-3-yl)-1-phenyl-1H-pyrazole-5-carboxylate
SpectraBase Compound ID 4WltJFTIGM8
InChI InChI=1S/C22H22N6O2S/c1-3-30-21(29)19-17(23)18(26-28(19)16-13-9-6-10-14-16)20-24-25-22(31-4-2)27(20)15-11-7-5-8-12-15/h5-14H,3-4,23H2,1-2H3
InChIKey ZHOHFYVLBFFJCS-UHFFFAOYSA-N
Mol Weight 434.52 g/mol
Molecular Formula C22H22N6O2S
Exact Mass 434.152495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 57jkQX06TX8
Name Ethyl 4-amino-3-(5-ethylthio-4-phenyl-4H-1,2,4-triazol-3-yl)-1-phenyl-1H-pyrazole-5-carboxylate
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N6O2S
InChI InChI=1S/C22H22N6O2S/c1-3-30-21(29)19-17(23)18(26-28(19)16-13-9-6-10-14-16)20-24-25-22(31-4-2)27(20)15-11-7-5-8-12-15/h5-14H,3-4,23H2,1-2H3
InChIKey ZHOHFYVLBFFJCS-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2363
Molecular Weight 434.518 g/mol
SMILES Nc1c(C(OCC)=O)[n](nc1-c1nnc([n]1-c1ccccc1)SCC)-c1ccccc1
SPLASH splash10-0036-9101300000-0c83d7d144854dddd564
Source of Spectrum Y-53-1163-6a
Wiley ID 1876482