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

SpectraBase Compound ID	HGD0wUCO99Y
InChI	InChI=1S/C20H16N4O2S/c25-18(15-6-2-1-3-7-15)14-27-20-23-22-19(16-8-4-10-21-12-16)24(20)13-17-9-5-11-26-17/h1-12H,13-14H2
InChIKey	GBFLQRFEPHIUQL-UHFFFAOYSA-N Google Search
Mol Weight	376.43 g/mol
Molecular Formula	C20H16N4O2S
Exact Mass	376.099397 g/mol

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SpectraBase Spectrum ID	IvJSynTqsJ0
Name	2-{[4-(2-furylmethyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
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/C20H16N4O2S/c25-18(15-6-2-1-3-7-15)14-27-20-23-22-19(16-8-4-10-21-12-16)24(20)13-17-9-5-11-26-17/h1-12H,13-14H2
InChIKey	GBFLQRFEPHIUQL-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_27066
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: D75218; Labnumber: GRESKO-5307; SBI_ID: SBI-027070
Temperature	318 °C