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

SpectraBase Compound ID	D7GK2DxNTRZ
InChI	InChI=1S/C19H16ClFN4OS/c1-2-10-25-18(13-4-3-5-14(20)11-13)23-24-19(25)27-12-17(26)22-16-8-6-15(21)7-9-16/h2-9,11H,1,10,12H2,(H,22,26)
InChIKey	XSGSGFYFBGSASX-UHFFFAOYSA-N Google Search
Mol Weight	402.88 g/mol
Molecular Formula	C19H16ClFN4OS
Exact Mass	402.071738 g/mol

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SpectraBase Spectrum ID	4MgLa2yx3Ff
Name	2-{[4-allyl-5-(3-chlorophenyl)-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/C19H16ClFN4OS/c1-2-10-25-18(13-4-3-5-14(20)11-13)23-24-19(25)27-12-17(26)22-16-8-6-15(21)7-9-16/h2-9,11H,1,10,12H2,(H,22,26)
InChIKey	XSGSGFYFBGSASX-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11390
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: E06917; Labnumber: GRES-31685; SBI_ID: SBI-011393
Temperature	318 °C