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

SpectraBase Compound ID	6jIn3r1b7Wr
InChI	InChI=1S/C22H22N4O4S/c1-3-10-26-20(12-28-17-7-4-15(2)5-8-17)24-25-22(26)31-13-21(27)23-16-6-9-18-19(11-16)30-14-29-18/h3-9,11H,1,10,12-14H2,2H3,(H,23,27)
InChIKey	XKILEFJYRVQCTK-UHFFFAOYSA-N Google Search
Mol Weight	438.5 g/mol
Molecular Formula	C22H22N4O4S
Exact Mass	438.136176 g/mol

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SpectraBase Spectrum ID	D1YIqzHynEn
Name	2-({4-allyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1,3-benzodioxol-5-yl)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/C22H22N4O4S/c1-3-10-26-20(12-28-17-7-4-15(2)5-8-17)24-25-22(26)31-13-21(27)23-16-6-9-18-19(11-16)30-14-29-18/h3-9,11H,1,10,12-14H2,2H3,(H,23,27)
InChIKey	XKILEFJYRVQCTK-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11205
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: E06276; Labnumber: GRES-19578; SBI_ID: SBI-011208
Temperature	318 °C