N-(4-chloro-2-methylphenyl)-2-{[4-(4-fluorophenyl)-5-(3,4,5-triethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

SpectraBase Compound ID	AtNETmMxByH
InChI	InChI=1S/C29H30ClFN4O4S/c1-5-37-24-15-19(16-25(38-6-2)27(24)39-7-3)28-33-34-29(35(28)22-11-9-21(31)10-12-22)40-17-26(36)32-23-13-8-20(30)14-18(23)4/h8-16H,5-7,17H2,1-4H3,(H,32,36)
InChIKey	GIWBBVYEIKHTRQ-UHFFFAOYSA-N Google Search
Mol Weight	585.09 g/mol
Molecular Formula	C29H30ClFN4O4S
Exact Mass	584.166032 g/mol

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SpectraBase Spectrum ID	4MJovIqGmvx
Name	N-(4-chloro-2-methylphenyl)-2-{[4-(4-fluorophenyl)-5-(3,4,5-triethoxyphenyl)-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/C29H30ClFN4O4S/c1-5-37-24-15-19(16-25(38-6-2)27(24)39-7-3)28-33-34-29(35(28)22-11-9-21(31)10-12-22)40-17-26(36)32-23-13-8-20(30)14-18(23)4/h8-16H,5-7,17H2,1-4H3,(H,32,36)
InChIKey	GIWBBVYEIKHTRQ-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_6517
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: D15617; Labnumber: VGU-12961; SBI_ID: SBI-006520
Temperature	308 °C