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

SpectraBase Compound ID	56Mg4lmHeUr
InChI	InChI=1S/C21H16BrN5OS/c22-16-5-4-6-17(13-16)24-19(28)14-29-21-26-25-20(15-9-11-23-12-10-15)27(21)18-7-2-1-3-8-18/h1-13H,14H2,(H,24,28)
InChIKey	PXGHIXOVHNJUAW-UHFFFAOYSA-N Google Search
Mol Weight	466.36 g/mol
Molecular Formula	C21H16BrN5OS
Exact Mass	465.025894 g/mol

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SpectraBase Spectrum ID	7atXXzbxOrN
Name	N-(3-bromophenyl)-2-{[4-phenyl-5-(4-pyridinyl)-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/C21H16BrN5OS/c22-16-5-4-6-17(13-16)24-19(28)14-29-21-26-25-20(15-9-11-23-12-10-15)27(21)18-7-2-1-3-8-18/h1-13H,14H2,(H,24,28)
InChIKey	PXGHIXOVHNJUAW-UHFFFAOYSA-N
NMR Offset	14.4793
NMR Spectrometer Frequency	500.138
Observed nucleus	1H
Origin	1H_UZI_26187_18081
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: UZI/8052794; Labnumber: STA-0003652; UZI_ID: UZI-018088
Temperature	313 °C