2-{[4-allyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorophenyl)acetamide

SpectraBase Compound ID	JydL3c7aYw9
InChI	InChI=1S/C20H19FN4O2S/c1-3-12-25-19(16-6-4-5-7-17(16)27-2)23-24-20(25)28-13-18(26)22-15-10-8-14(21)9-11-15/h3-11H,1,12-13H2,2H3,(H,22,26)
InChIKey	SZCMWZRSAJVDEF-UHFFFAOYSA-N Google Search
Mol Weight	398.46 g/mol
Molecular Formula	C20H19FN4O2S
Exact Mass	398.121275 g/mol

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SpectraBase Spectrum ID	29yYwrD28Zu
Name	2-{[4-allyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorophenyl)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/C20H19FN4O2S/c1-3-12-25-19(16-6-4-5-7-17(16)27-2)23-24-20(25)28-13-18(26)22-15-10-8-14(21)9-11-15/h3-11H,1,12-13H2,2H3,(H,22,26)
InChIKey	SZCMWZRSAJVDEF-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11227
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: E06510; Labnumber: GRES-23785; SBI_ID: SBI-011230
Temperature	315 °C