N-[4-(acetylamino)phenyl]-2-{[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

SpectraBase Compound ID	IcLCmnMnzOt
InChI	InChI=1S/C25H22ClN5O3S/c1-16(32)27-19-7-9-20(10-8-19)28-23(33)15-35-25-30-29-24(17-3-5-18(26)6-4-17)31(25)21-11-13-22(34-2)14-12-21/h3-14H,15H2,1-2H3,(H,27,32)(H,28,33)
InChIKey	RSJAZEAHNJTJET-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	3IICnfqdAj1
Name	N-[4-(acetylamino)phenyl]-2-{[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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/C25H22ClN5O3S/c1-16(32)27-19-7-9-20(10-8-19)28-23(33)15-35-25-30-29-24(17-3-5-18(26)6-4-17)31(25)21-11-13-22(34-2)14-12-21/h3-14H,15H2,1-2H3,(H,27,32)(H,28,33)
InChIKey	RSJAZEAHNJTJET-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11730
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: E08668; Labnumber: GRES-37330; SBI_ID: SBI-011733
Temperature	308 °C