benzoic acid, 4-[(Z)-[[[[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]acetyl]hydrazono]methyl]-, methyl ester

SpectraBase Compound ID	6agHfmxYGyJ
InChI	InChI=1S/C26H23N5O4S/c1-34-22-14-12-19(13-15-22)24-29-30-26(31(24)21-6-4-3-5-7-21)36-17-23(32)28-27-16-18-8-10-20(11-9-18)25(33)35-2/h3-16H,17H2,1-2H3,(H,28,32)/b27-16-
InChIKey	KJYRAECXTFURKE-YUMHPJSZSA-N Google Search
Mol Weight	501.56 g/mol
Molecular Formula	C26H23N5O4S
Exact Mass	501.147075 g/mol

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SpectraBase Spectrum ID	Fued22TO6fx
Name	Benzoic acid, 4-[(Z)-[[[[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]acetyl]hydrazono]methyl]-, methyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	501.147075411 u
Formula	C26H23N5O4S
InChI	InChI=1S/C26H23N5O4S/c1-34-22-14-12-19(13-15-22)24-29-30-26(31(24)21-6-4-3-5-7-21)36-17-23(32)28-27-16-18-8-10-20(11-9-18)25(33)35-2/h3-16H,17H2,1-2H3,(H,28,32)/b27-16-
InChIKey	KJYRAECXTFURKE-YUMHPJSZSA-N
Molecular Weight	501.561 g/mol
SMILES	N(\N=C/C1=CC=C(C(=O)OC)C=C1)C(CSC=1N(C(=NN1)C=1C=CC(=CC1)OC)C=1C=CC=CC1)=O