2-{[4-(2-furylmethyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethanone

SpectraBase Compound ID	4ySy57tfTpx
InChI	InChI=1S/C21H18N4O3S/c1-27-17-8-6-15(7-9-17)19(26)14-29-21-24-23-20(16-4-2-10-22-12-16)25(21)13-18-5-3-11-28-18/h2-12H,13-14H2,1H3
InChIKey	QEAFTOMVCPYDFX-UHFFFAOYSA-N Google Search
Mol Weight	406.46 g/mol
Molecular Formula	C21H18N4O3S
Exact Mass	406.109962 g/mol

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SpectraBase Spectrum ID	HVFgFD7ZKL
Name	2-{[4-(2-furylmethyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethanone
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/C21H18N4O3S/c1-27-17-8-6-15(7-9-17)19(26)14-29-21-24-23-20(16-4-2-10-22-12-16)25(21)13-18-5-3-11-28-18/h2-12H,13-14H2,1H3
InChIKey	QEAFTOMVCPYDFX-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_27065
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: D75216; Labnumber: GRESKO-5261; SBI_ID: SBI-027069
Temperature	318 °C