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

SpectraBase Compound ID	AON8HLhTp92
InChI	InChI=1S/C22H25N5O2S/c1-4-13-27-20(14-23-17-11-9-16(2)10-12-17)25-26-22(27)30-15-21(28)24-18-7-5-6-8-19(18)29-3/h4-12,23H,1,13-15H2,2-3H3,(H,24,28)
InChIKey	BJMHLVHKAJTVMW-UHFFFAOYSA-N Google Search
Mol Weight	423.54 g/mol
Molecular Formula	C22H25N5O2S
Exact Mass	423.172896 g/mol

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SpectraBase Spectrum ID	ATH07L2Ubbp
Name	2-{[4-allyl-5-(4-toluidinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-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/C22H25N5O2S/c1-4-13-27-20(14-23-17-11-9-16(2)10-12-17)25-26-22(27)30-15-21(28)24-18-7-5-6-8-19(18)29-3/h4-12,23H,1,13-15H2,2-3H3,(H,24,28)
InChIKey	BJMHLVHKAJTVMW-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_18116
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: UZI/9048931; Labnumber: STA-0011571; UZI_ID: UZI-018123
Temperature	318 °C