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

SpectraBase Compound ID	BzOrnnIOfWm
InChI	InChI=1S/C23H18ClFN4OS/c1-15-7-9-16(10-8-15)22-27-28-23(29(22)18-5-3-2-4-6-18)31-14-21(30)26-17-11-12-20(25)19(24)13-17/h2-13H,14H2,1H3,(H,26,30)
InChIKey	NRRQOAFGAONPPM-UHFFFAOYSA-N Google Search
Mol Weight	452.94 g/mol
Molecular Formula	C23H18ClFN4OS
Exact Mass	452.087388 g/mol

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SpectraBase Spectrum ID	5VdhqdV3RbG
Name	N-(3-chloro-4-fluorophenyl)-2-{[5-(4-methylphenyl)-4-phenyl-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/C23H18ClFN4OS/c1-15-7-9-16(10-8-15)22-27-28-23(29(22)18-5-3-2-4-6-18)31-14-21(30)26-17-11-12-20(25)19(24)13-17/h2-13H,14H2,1H3,(H,26,30)
InChIKey	NRRQOAFGAONPPM-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_4513
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: D99071; Labnumber: GRES-30978; SBI_ID: SBI-004515
Temperature	315 °C