benzoic acid, 3-[[[[5-(2-benzofuranyl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-

SpectraBase Compound ID	1aZhacb8WBN
InChI	InChI=1S/C21H18N4O4S/c1-2-25-19(17-11-13-6-3-4-9-16(13)29-17)23-24-21(25)30-12-18(26)22-15-8-5-7-14(10-15)20(27)28/h3-11H,2,12H2,1H3,(H,22,26)(H,27,28)
InChIKey	HDSXMAYHVHTGCY-UHFFFAOYSA-N Google Search
Mol Weight	422.46 g/mol
Molecular Formula	C21H18N4O4S
Exact Mass	422.104876 g/mol

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SpectraBase Spectrum ID	4HVMKPzlAeE
Name	benzoic acid, 3-[[[[5-(2-benzofuranyl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-
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/C21H18N4O4S/c1-2-25-19(17-11-13-6-3-4-9-16(13)29-17)23-24-21(25)30-12-18(26)22-15-8-5-7-14(10-15)20(27)28/h3-11H,2,12H2,1H3,(H,22,26)(H,27,28)
InChIKey	HDSXMAYHVHTGCY-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_4882
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: F23388; Labnumber: ALEKS1-30908