acetic acid, [[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-1-(4-fluorophenyl)ethylidene]hydrazide

SpectraBase Compound ID	29Q4IMuS3uW
InChI	InChI=1S/C21H22FN5O2S/c1-4-27-20(16-7-11-18(29-3)12-8-16)25-26-21(27)30-13-19(28)24-23-14(2)15-5-9-17(22)10-6-15/h5-12H,4,13H2,1-3H3,(H,24,28)/b23-14+
InChIKey	KUULRZNSXSWRRJ-OEAKJJBVSA-N Google Search
Mol Weight	427.5 g/mol
Molecular Formula	C21H22FN5O2S
Exact Mass	427.147824 g/mol

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SpectraBase Spectrum ID	KbvHQEXQsHM
Name	Acetic acid, [[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-1-(4-fluorophenyl)ethylidene]hydrazide
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	427.147824303 u
Formula	C21H22FN5O2S
InChI	InChI=1S/C21H22FN5O2S/c1-4-27-20(16-7-11-18(29-3)12-8-16)25-26-21(27)30-13-19(28)24-23-14(2)15-5-9-17(22)10-6-15/h5-12H,4,13H2,1-3H3,(H,24,28)/b23-14+
InChIKey	KUULRZNSXSWRRJ-OEAKJJBVSA-N
Molecular Weight	427.498 g/mol
SMILES	N(\N=C\(C1=CC=C(C=C1)F)C)C(CSC=1N(C(=NN1)C1=CC=C(C=C1)OC)CC)=O