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

SpectraBase Compound ID	8TrZvLKISBo
InChI	InChI=1S/C19H19BrN4O2S/c1-3-24-18(13-5-4-6-16(11-13)26-2)22-23-19(24)27-12-17(25)21-15-9-7-14(20)8-10-15/h4-11H,3,12H2,1-2H3,(H,21,25)
InChIKey	VLQRNNLDOGUOIZ-UHFFFAOYSA-N Google Search
Mol Weight	447.35 g/mol
Molecular Formula	C19H19BrN4O2S
Exact Mass	446.04121 g/mol

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SpectraBase Spectrum ID	6UPOCfiJDbq
Name	N-(4-bromophenyl)-2-{[4-ethyl-5-(3-methoxyphenyl)-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/C19H19BrN4O2S/c1-3-24-18(13-5-4-6-16(11-13)26-2)22-23-19(24)27-12-17(25)21-15-9-7-14(20)8-10-15/h4-11H,3,12H2,1-2H3,(H,21,25)
InChIKey	VLQRNNLDOGUOIZ-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11404
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: E06936; Labnumber: GRES-32045; SBI_ID: SBI-011407
Temperature	318 °C