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Ethyl 4-amino-3-(5-ethylthio-4-phenyl-4H-1,2,4-triazol-3-yl)-1-(4-methylphenyl)-1H-pyrazole-5-carboxylate
SpectraBase Compound ID MI85WrToBA
InChI InChI=1S/C23H24N6O2S/c1-4-31-22(30)20-18(24)19(27-29(20)17-13-11-15(3)12-14-17)21-25-26-23(32-5-2)28(21)16-9-7-6-8-10-16/h6-14H,4-5,24H2,1-3H3
InChIKey GZDGTKOTMOLAFX-UHFFFAOYSA-N
Mol Weight 448.55 g/mol
Molecular Formula C23H24N6O2S
Exact Mass 448.168145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8CAfO6cVpsy
Name Ethyl 4-amino-3-(5-ethylthio-4-phenyl-4H-1,2,4-triazol-3-yl)-1-(4-methylphenyl)-1H-pyrazole-5-carboxylate
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H24N6O2S
InChI InChI=1S/C23H24N6O2S/c1-4-31-22(30)20-18(24)19(27-29(20)17-13-11-15(3)12-14-17)21-25-26-23(32-5-2)28(21)16-9-7-6-8-10-16/h6-14H,4-5,24H2,1-3H3
InChIKey GZDGTKOTMOLAFX-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2363
Molecular Weight 448.545 g/mol
SMILES Nc1c(C(OCC)=O)[n](nc1-c1nnc([n]1-c1ccccc1)SCC)-c1ccc(cc1)C
SPLASH splash10-0002-9730800000-0314b1397edf492196c1
Source of Spectrum Y-53-1163-6b
Wiley ID 1876483