N-[4-((E)-{2-[(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazol-4-yl)carbonyl]hydrazono}methyl)phenyl]acetamide

SpectraBase Compound ID	D5z6QcjO9L2
InChI	InChI=1S/C22H21N9O3S/c1-13-3-9-17(10-4-13)35-12-18-19(26-30-31(18)21-20(23)28-34-29-21)22(33)27-24-11-15-5-7-16(8-6-15)25-14(2)32/h3-11H,12H2,1-2H3,(H2,23,28)(H,25,32)(H,27,33)/b24-11+
InChIKey	XYRHKCARCXKVAA-BHGWPJFGSA-N Google Search
Mol Weight	491.53 g/mol
Molecular Formula	C22H21N9O3S
Exact Mass	491.148807 g/mol

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SpectraBase Spectrum ID	K8YCc97Tnmx
Name	N-[4-((E)-{2-[(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazol-4-yl)carbonyl]hydrazono}methyl)phenyl]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/C22H21N9O3S/c1-13-3-9-17(10-4-13)35-12-18-19(26-30-31(18)21-20(23)28-34-29-21)22(33)27-24-11-15-5-7-16(8-6-15)25-14(2)32/h3-11H,12H2,1-2H3,(H2,23,28)(H,25,32)(H,27,33)/b24-11+
InChIKey	XYRHKCARCXKVAA-BHGWPJFGSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_28106
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: D80390; Labnumber: NIG2-2613; SBI_ID: SBI-028110
Synonyms	N-[4-({2-[(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazol-4-yl)carbonyl]hydrazono}methyl)phenyl]acetamide
Temperature	318 °C