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

SpectraBase Compound ID	BGBCj0D1f8K
InChI	InChI=1S/C22H25N5O2S/c1-3-14-27-20(15-23-17-8-6-5-7-9-17)25-26-22(27)30-16-21(28)24-18-10-12-19(13-11-18)29-4-2/h3,5-13,23H,1,4,14-16H2,2H3,(H,24,28)
InChIKey	HBPYWUCHINLNKS-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	4fGWMoDq8ZE
Name	2-{[4-allyl-5-(anilinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethoxyphenyl)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/c1-3-14-27-20(15-23-17-8-6-5-7-9-17)25-26-22(27)30-16-21(28)24-18-10-12-19(13-11-18)29-4-2/h3,5-13,23H,1,4,14-16H2,2H3,(H,24,28)
InChIKey	HBPYWUCHINLNKS-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_5658
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/8163396; UBI_ID: UBI-005660
Temperature	308 °C