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

SpectraBase Compound ID	IrZgre14e61
InChI	InChI=1S/C20H18ClFN4OS/c1-3-9-26-19(14-5-4-6-15(21)10-14)24-25-20(26)28-12-18(27)23-16-8-7-13(2)17(22)11-16/h3-8,10-11H,1,9,12H2,2H3,(H,23,27)
InChIKey	YYCHTLOUMHSJRK-UHFFFAOYSA-N Google Search
Mol Weight	416.9 g/mol
Molecular Formula	C20H18ClFN4OS
Exact Mass	416.087388 g/mol

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SpectraBase Spectrum ID	7VOw51gKXI1
Name	2-{[4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)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/C20H18ClFN4OS/c1-3-9-26-19(14-5-4-6-15(21)10-14)24-25-20(26)28-12-18(27)23-16-8-7-13(2)17(22)11-16/h3-8,10-11H,1,9,12H2,2H3,(H,23,27)
InChIKey	YYCHTLOUMHSJRK-UHFFFAOYSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11155
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: E06164; Labnumber: GRES-17444; SBI_ID: SBI-011158
Temperature	306 °C