2-{(E)-[({[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}benzoic acid

SpectraBase Compound ID	9PUN3GleGNI
InChI	InChI=1S/C21H21N5O3S/c1-3-26-19(15-10-8-14(2)9-11-15)24-25-21(26)30-13-18(27)23-22-12-16-6-4-5-7-17(16)20(28)29/h4-12H,3,13H2,1-2H3,(H,23,27)(H,28,29)/b22-12+
InChIKey	WEACKOHHPGHEDA-WSDLNYQXSA-N Google Search
Mol Weight	423.49 g/mol
Molecular Formula	C21H21N5O3S
Exact Mass	423.136511 g/mol

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SpectraBase Spectrum ID	HK9rm4GWYEJ
Name	2-{(E)-[({[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}benzoic acid
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C21H21N5O3S/c1-3-26-19(15-10-8-14(2)9-11-15)24-25-21(26)30-13-18(27)23-22-12-16-6-4-5-7-17(16)20(28)29/h4-12H,3,13H2,1-2H3,(H,23,27)(H,28,29)/b22-12+
InChIKey	WEACKOHHPGHEDA-WSDLNYQXSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_611
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: C24379; Labnumber: UGRES-05849; SBI_ID: SBI-000613
Synonyms	2-{[({[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}benzoic acid
Temperature	308 °C