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

SpectraBase Compound ID	FdJUGoIpwBd
InChI	InChI=1S/C20H19ClN4O2S/c1-3-11-25-19(16-9-4-5-10-17(16)27-2)23-24-20(25)28-13-18(26)22-15-8-6-7-14(21)12-15/h3-10,12H,1,11,13H2,2H3,(H,22,26)
InChIKey	MYBNYXRBGAHDQR-UHFFFAOYSA-N Google Search
Mol Weight	414.91 g/mol
Molecular Formula	C20H19ClN4O2S
Exact Mass	414.091725 g/mol

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SpectraBase Spectrum ID	GeHJXJjFsCP
Name	2-{[4-allyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chlorophenyl)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/C20H19ClN4O2S/c1-3-11-25-19(16-9-4-5-10-17(16)27-2)23-24-20(25)28-13-18(26)22-15-8-6-7-14(21)12-15/h3-10,12H,1,11,13H2,2H3,(H,22,26)
InChIKey	MYBNYXRBGAHDQR-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11518
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: E06440; Labnumber: GRES-22603; SBI_ID: SBI-011521
Temperature	308 °C