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

SpectraBase Compound ID	LnwbmpWVeV7
InChI	InChI=1S/C21H21ClN4OS/c1-4-10-26-20(16-6-5-7-17(22)12-16)24-25-21(26)28-13-19(27)23-18-9-8-14(2)15(3)11-18/h4-9,11-12H,1,10,13H2,2-3H3,(H,23,27)
InChIKey	ZHDWYLMKFPACRT-UHFFFAOYSA-N Google Search
Mol Weight	412.94 g/mol
Molecular Formula	C21H21ClN4OS
Exact Mass	412.11246 g/mol

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SpectraBase Spectrum ID	Hs23LtnJ3kg
Name	2-{[4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dimethylphenyl)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/C21H21ClN4OS/c1-4-10-26-20(16-6-5-7-17(22)12-16)24-25-21(26)28-13-19(27)23-18-9-8-14(2)15(3)11-18/h4-9,11-12H,1,10,13H2,2-3H3,(H,23,27)
InChIKey	ZHDWYLMKFPACRT-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11099
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: E05817; Labnumber: GRES-10844; SBI_ID: SBI-011102
Temperature	318 °C