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

SpectraBase Compound ID	JJaKmgQxdxS
InChI	InChI=1S/C22H27N5OS/c1-5-13-27-19(25-26-21(27)29-15-20(28)24-22(2,3)4)14-23-18-12-8-10-16-9-6-7-11-17(16)18/h5-12,23H,1,13-15H2,2-4H3,(H,24,28)
InChIKey	WPWLAIWWRBCJED-UHFFFAOYSA-N Google Search
Mol Weight	409.55 g/mol
Molecular Formula	C22H27N5OS
Exact Mass	409.193632 g/mol

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SpectraBase Spectrum ID	GST83JhhRIX
Name	2-({4-allyl-5-[(1-naphthylamino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(tert-butyl)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/C22H27N5OS/c1-5-13-27-19(25-26-21(27)29-15-20(28)24-22(2,3)4)14-23-18-12-8-10-16-9-6-7-11-17(16)18/h5-12,23H,1,13-15H2,2-4H3,(H,24,28)
InChIKey	WPWLAIWWRBCJED-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_3965
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/8108021; UBI_ID: UBI-003966
Temperature	308 °C