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

SpectraBase Compound ID	6SjG2OcUqlT
InChI	InChI=1S/C25H20Cl2N4O3S/c1-15-3-10-19(11-4-15)31-23(20-12-7-17(26)13-21(20)27)29-30-25(31)35-14-22(32)28-18-8-5-16(6-9-18)24(33)34-2/h3-13H,14H2,1-2H3,(H,28,32)
InChIKey	MWHWPFILWOINPJ-UHFFFAOYSA-N Google Search
Mol Weight	527.43 g/mol
Molecular Formula	C25H20Cl2N4O3S
Exact Mass	526.063317 g/mol

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SpectraBase Spectrum ID	7ob4NwPcP00
Name	methyl 4-[({[5-(2,4-dichlorophenyl)-4-(4-methylphenyl)-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/C25H20Cl2N4O3S/c1-15-3-10-19(11-4-15)31-23(20-12-7-17(26)13-21(20)27)29-30-25(31)35-14-22(32)28-18-8-5-16(6-9-18)24(33)34-2/h3-13H,14H2,1-2H3,(H,28,32)
InChIKey	MWHWPFILWOINPJ-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_5533
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: NMR/11221743; Labnumber: 0705; IOH_ID: IOH-005534