methyl 4-{[({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate

SpectraBase Compound ID	L9NtsxaTBLt
InChI	InChI=1S/C21H21ClN4O4S/c1-3-26-18(12-30-17-10-6-15(22)7-11-17)24-25-21(26)31-13-19(27)23-16-8-4-14(5-9-16)20(28)29-2/h4-11H,3,12-13H2,1-2H3,(H,23,27)
InChIKey	JUAGWSKUDDONNP-UHFFFAOYSA-N Google Search
Mol Weight	460.94 g/mol
Molecular Formula	C21H21ClN4O4S
Exact Mass	460.097204 g/mol

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SpectraBase Spectrum ID	9tiegLY8d6q
Name	methyl 4-{[({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate
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/C21H21ClN4O4S/c1-3-26-18(12-30-17-10-6-15(22)7-11-17)24-25-21(26)31-13-19(27)23-16-8-4-14(5-9-16)20(28)29-2/h4-11H,3,12-13H2,1-2H3,(H,23,27)
InChIKey	JUAGWSKUDDONNP-UHFFFAOYSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11133
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: E06132; Labnumber: GRES-16683; SBI_ID: SBI-011136
Temperature	306 °C