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

SpectraBase Compound ID	9Lv3HiLscT0
InChI	InChI=1S/C27H27ClN4O2S/c1-3-4-7-19-10-14-21(15-11-19)29-25(33)18-35-27-31-30-26(23-8-5-6-9-24(23)34-2)32(27)22-16-12-20(28)13-17-22/h5-6,8-17H,3-4,7,18H2,1-2H3,(H,29,33)
InChIKey	GHGIWZKMCMFRGB-UHFFFAOYSA-N Google Search
Mol Weight	507.05 g/mol
Molecular Formula	C27H27ClN4O2S
Exact Mass	506.154325 g/mol

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SpectraBase Spectrum ID	GyzMEtbJtqA
Name	N-(4-butylphenyl)-2-{[4-(4-chlorophenyl)-5-(2-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/C27H27ClN4O2S/c1-3-4-7-19-10-14-21(15-11-19)29-25(33)18-35-27-31-30-26(23-8-5-6-9-24(23)34-2)32(27)22-16-12-20(28)13-17-22/h5-6,8-17H,3-4,7,18H2,1-2H3,(H,29,33)
InChIKey	GHGIWZKMCMFRGB-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_4875
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: E08294; Labnumber: GRES-36890; SBI_ID: SBI-004877
Temperature	315 °C