2-({5-[1-(4-bromoanilino)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

SpectraBase Compound ID	COrG5DTM9hW
InChI	InChI=1S/C18H18BrN5OS/c1-12(21-14-9-7-13(19)8-10-14)17-22-23-18(26-11-16(20)25)24(17)15-5-3-2-4-6-15/h2-10,12,21H,11H2,1H3,(H2,20,25)
InChIKey	COPWLTCODUORDI-UHFFFAOYSA-N Google Search
Mol Weight	432.34 g/mol
Molecular Formula	C18H18BrN5OS
Exact Mass	431.041544 g/mol

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SpectraBase Spectrum ID	EynLBZm8o7o
Name	2-({5-[1-(4-bromoanilino)ethyl]-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/C18H18BrN5OS/c1-12(21-14-9-7-13(19)8-10-14)17-22-23-18(26-11-16(20)25)24(17)15-5-3-2-4-6-15/h2-10,12,21H,11H2,1H3,(H2,20,25)
InChIKey	COPWLTCODUORDI-UHFFFAOYSA-N
NMR Offset	14.9921
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_2506
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/8051697; UBI_ID: UBI-002507
Temperature	308 °C