4-[({[5-(2-fluorophenyl)-4-(2-furylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide

SpectraBase Compound ID	A01m5Pms2en
InChI	InChI=1S/C22H18FN5O3S/c23-18-6-2-1-5-17(18)21-26-27-22(28(21)12-16-4-3-11-31-16)32-13-19(29)25-15-9-7-14(8-10-15)20(24)30/h1-11H,12-13H2,(H2,24,30)(H,25,29)
InChIKey	RJSINVHOJAUWBL-UHFFFAOYSA-N Google Search
Mol Weight	451.48 g/mol
Molecular Formula	C22H18FN5O3S
Exact Mass	451.111439 g/mol

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SpectraBase Spectrum ID	7T7CjnK04SL
Name	4-[({[5-(2-fluorophenyl)-4-(2-furylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide
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/C22H18FN5O3S/c23-18-6-2-1-5-17(18)21-26-27-22(28(21)12-16-4-3-11-31-16)32-13-19(29)25-15-9-7-14(8-10-15)20(24)30/h1-11H,12-13H2,(H2,24,30)(H,25,29)
InChIKey	RJSINVHOJAUWBL-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11293
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: E06594; Labnumber: GRES-25566; SBI_ID: SBI-011296
Temperature	308 °C