4-({[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile

SpectraBase Compound ID	KCxLRQRnkzy
InChI	InChI=1S/C25H22N4O2S/c1-3-31-23-14-10-21(11-15-23)29-24(20-8-12-22(30-2)13-9-20)27-28-25(29)32-17-19-6-4-18(16-26)5-7-19/h4-15H,3,17H2,1-2H3
InChIKey	FXLVFPPWWAKSNL-UHFFFAOYSA-N Google Search
Mol Weight	442.54 g/mol
Molecular Formula	C25H22N4O2S
Exact Mass	442.146347 g/mol

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SpectraBase Spectrum ID	IJVAmplApNB
Name	4-({[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
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/C25H22N4O2S/c1-3-31-23-14-10-21(11-15-23)29-24(20-8-12-22(30-2)13-9-20)27-28-25(29)32-17-19-6-4-18(16-26)5-7-19/h4-15H,3,17H2,1-2H3
InChIKey	FXLVFPPWWAKSNL-UHFFFAOYSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_4323
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: D98816; Labnumber: GRES-26729; SBI_ID: SBI-004325
Temperature	306 °C