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

SpectraBase Compound ID	3F6sX2ywNrZ
InChI	InChI=1S/C21H21ClN4O3S/c1-4-10-26-20(14-6-5-7-15(22)11-14)24-25-21(26)30-13-19(27)23-17-9-8-16(28-2)12-18(17)29-3/h4-9,11-12H,1,10,13H2,2-3H3,(H,23,27)
InChIKey	VHHAWVAIVBWCOG-UHFFFAOYSA-N Google Search
Mol Weight	444.94 g/mol
Molecular Formula	C21H21ClN4O3S
Exact Mass	444.102289 g/mol

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SpectraBase Spectrum ID	G0dCJrZO6XR
Name	2-{[4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)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/C21H21ClN4O3S/c1-4-10-26-20(14-6-5-7-15(22)11-14)24-25-21(26)30-13-19(27)23-17-9-8-16(28-2)12-18(17)29-3/h4-9,11-12H,1,10,13H2,2-3H3,(H,23,27)
InChIKey	VHHAWVAIVBWCOG-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11268
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: E06557; Labnumber: GRES-24686; SBI_ID: SBI-011271
Temperature	308 °C