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

SpectraBase Compound ID	EjIo9F8paTJ
InChI	InChI=1S/C20H19BrN4OS/c1-3-11-25-19(15-8-6-7-14(2)12-15)23-24-20(25)27-13-18(26)22-17-10-5-4-9-16(17)21/h3-10,12H,1,11,13H2,2H3,(H,22,26)
InChIKey	KALHXJFHSNUZOL-UHFFFAOYSA-N Google Search
Mol Weight	443.36 g/mol
Molecular Formula	C20H19BrN4OS
Exact Mass	442.046295 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	KhxKckOu7Jj
Name	2-{[4-allyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-bromophenyl)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/C20H19BrN4OS/c1-3-11-25-19(15-8-6-7-14(2)12-15)23-24-20(25)27-13-18(26)22-17-10-5-4-9-16(17)21/h3-10,12H,1,11,13H2,2H3,(H,22,26)
InChIKey	KALHXJFHSNUZOL-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11184
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: E06202; Labnumber: GRES-18136; SBI_ID: SBI-011187
Temperature	318 °C