N-[3,5-bis(trifluoromethyl)phenyl]-2-{[4-(2-furylmethyl)-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

SpectraBase Compound ID	8hBLs4tPSaK
InChI	InChI=1S/C21H14F6N6O2S/c22-20(23,24)12-6-13(21(25,26)27)8-14(7-12)30-17(34)11-36-19-32-31-18(16-9-28-3-4-29-16)33(19)10-15-2-1-5-35-15/h1-9H,10-11H2,(H,30,34)
InChIKey	QRHWZQUCCNLCLI-UHFFFAOYSA-N Google Search
Mol Weight	528.43 g/mol
Molecular Formula	C21H14F6N6O2S
Exact Mass	528.080314 g/mol

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SpectraBase Spectrum ID	8YacTCpO1EV
Name	N-[3,5-bis(trifluoromethyl)phenyl]-2-{[4-(2-furylmethyl)-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
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/C21H14F6N6O2S/c22-20(23,24)12-6-13(21(25,26)27)8-14(7-12)30-17(34)11-36-19-32-31-18(16-9-28-3-4-29-16)33(19)10-15-2-1-5-35-15/h1-9H,10-11H2,(H,30,34)
InChIKey	QRHWZQUCCNLCLI-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_27072
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: D75226; Labnumber: GRESKO-5539; SBI_ID: SBI-027076
Temperature	318 °C