4-[({[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide

SpectraBase Compound ID	3EOnSHUMwST
InChI	InChI=1S/C25H22ClN5O3S/c1-2-34-21-13-11-20(12-14-21)31-24(17-3-7-18(26)8-4-17)29-30-25(31)35-15-22(32)28-19-9-5-16(6-10-19)23(27)33/h3-14H,2,15H2,1H3,(H2,27,33)(H,28,32)
InChIKey	LAPYSVLWNRGXRM-UHFFFAOYSA-N Google Search
Mol Weight	508.0 g/mol
Molecular Formula	C25H22ClN5O3S
Exact Mass	507.113188 g/mol

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SpectraBase Spectrum ID	A5fnf52j6bh
Name	4-[({[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide
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/C25H22ClN5O3S/c1-2-34-21-13-11-20(12-14-21)31-24(17-3-7-18(26)8-4-17)29-30-25(31)35-15-22(32)28-19-9-5-16(6-10-19)23(27)33/h3-14H,2,15H2,1H3,(H2,27,33)(H,28,32)
InChIKey	LAPYSVLWNRGXRM-UHFFFAOYSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_4365
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: D98885; Labnumber: GRES-27793; SBI_ID: SBI-004367
Temperature	306 °C