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

SpectraBase Compound ID	8rTXCQSWDQI
InChI	InChI=1S/C21H21ClN4O2S/c1-4-10-26-20(15-6-5-7-16(22)12-15)24-25-21(26)29-13-19(27)23-17-11-14(2)8-9-18(17)28-3/h4-9,11-12H,1,10,13H2,2-3H3,(H,23,27)
InChIKey	XRQWLGBTQKWXPG-UHFFFAOYSA-N Google Search
Mol Weight	428.94 g/mol
Molecular Formula	C21H21ClN4O2S
Exact Mass	428.107375 g/mol

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SpectraBase Spectrum ID	2wL5aOs0ppK
Name	2-{[4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)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/C21H21ClN4O2S/c1-4-10-26-20(15-6-5-7-16(22)12-15)24-25-21(26)29-13-19(27)23-17-11-14(2)8-9-18(17)28-3/h4-9,11-12H,1,10,13H2,2-3H3,(H,23,27)
InChIKey	XRQWLGBTQKWXPG-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11546
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: E06478; Labnumber: GRES-23188; SBI_ID: SBI-011549
Temperature	318 °C