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

SpectraBase Compound ID	1aD2MlngDSm
InChI	InChI=1S/C21H22N4O3S/c1-4-13-25-20(17-7-5-6-8-18(17)28-3)23-24-21(25)29-14-19(26)22-15-9-11-16(27-2)12-10-15/h4-12H,1,13-14H2,2-3H3,(H,22,26)
InChIKey	YDZVAFKBUSOCAT-UHFFFAOYSA-N Google Search
Mol Weight	410.49 g/mol
Molecular Formula	C21H22N4O3S
Exact Mass	410.141262 g/mol

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SpectraBase Spectrum ID	Kot5hmFjNMw
Name	2-{[4-allyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)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/C21H22N4O3S/c1-4-13-25-20(17-7-5-6-8-18(17)28-3)23-24-21(25)29-14-19(26)22-15-9-11-16(27-2)12-10-15/h4-12H,1,13-14H2,2-3H3,(H,22,26)
InChIKey	YDZVAFKBUSOCAT-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11331
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: E06638; Labnumber: GRES-26541; SBI_ID: SBI-011334
Temperature	308 °C