ethanone, 1-[1-(2-furanylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)thio]-

SpectraBase Compound ID	w9JUrHUKfE
InChI	InChI=1S/C21H20N4O2S/c1-14-11-18(15(2)25(14)12-17-9-6-10-27-17)19(26)13-28-21-22-20(23-24-21)16-7-4-3-5-8-16/h3-11H,12-13H2,1-2H3,(H,22,23,24)
InChIKey	LRBUGWPBJHOMHA-UHFFFAOYSA-N Google Search
Mol Weight	392.48 g/mol
Molecular Formula	C21H20N4O2S
Exact Mass	392.130697 g/mol

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SpectraBase Spectrum ID	EQOPtueEcnn
Name	ethanone, 1-[1-(2-furanylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)thio]-
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/C21H20N4O2S/c1-14-11-18(15(2)25(14)12-17-9-6-10-27-17)19(26)13-28-21-22-20(23-24-21)16-7-4-3-5-8-16/h3-11H,12-13H2,1-2H3,(H,22,23,24)
InChIKey	LRBUGWPBJHOMHA-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_6385
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: F28426; Labnumber: ALEKS1-29076