(2E)-3-[5-(5-chloro-2-methylphenyl)-2-furyl]-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-2-propenoic acid

SpectraBase Compound ID	7xjUvRRjFTV
InChI	InChI=1S/C17H14ClN3O3S/c1-9-3-4-11(18)7-13(9)14-6-5-12(24-14)8-15(16(22)23)25-17-19-10(2)20-21-17/h3-8H,1-2H3,(H,22,23)(H,19,20,21)/b15-8+
InChIKey	HAQIFVQHRZHBAY-OVCLIPMQSA-N Google Search
Mol Weight	375.83 g/mol
Molecular Formula	C17H14ClN3O3S
Exact Mass	375.04444 g/mol

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SpectraBase Spectrum ID	JxbzACQmDu
Name	(2E)-3-[5-(5-chloro-2-methylphenyl)-2-furyl]-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-2-propenoic 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/C17H14ClN3O3S/c1-9-3-4-11(18)7-13(9)14-6-5-12(24-14)8-15(16(22)23)25-17-19-10(2)20-21-17/h3-8H,1-2H3,(H,22,23)(H,19,20,21)/b15-8+
InChIKey	HAQIFVQHRZHBAY-OVCLIPMQSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_29058
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: D90900; Labnumber: SPDEM5-39206; SBI_ID: SBI-029062
Synonyms	3-[5-(5-chloro-2-methylphenyl)-2-furyl]-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-2-propenoic acid
Temperature	308 °C