benzeneacetamide, N-[[5-[[2-[5-(2,3-dimethoxyphenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl]-

SpectraBase Compound ID	4jLwmPxGaDV
InChI	InChI=1S/C35H34N6O5S2/c1-44-28-15-8-7-14-26(28)40-31(21-36-32(42)19-23-11-5-4-6-12-23)37-38-35(40)48-22-33(43)41-27(20-25(39-41)30-17-10-18-47-30)24-13-9-16-29(45-2)34(24)46-3/h4-18,27H,19-22H2,1-3H3,(H,36,42)
InChIKey	LJJURNTVFKOQAS-UHFFFAOYSA-N Google Search
Mol Weight	682.8 g/mol
Molecular Formula	C35H34N6O5S2
Exact Mass	682.203211 g/mol

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SpectraBase Spectrum ID	EHNc6eYVjFa
Name	benzeneacetamide, N-[[5-[[2-[5-(2,3-dimethoxyphenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl]-
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/C35H34N6O5S2/c1-44-28-15-8-7-14-26(28)40-31(21-36-32(42)19-23-11-5-4-6-12-23)37-38-35(40)48-22-33(43)41-27(20-25(39-41)30-17-10-18-47-30)24-13-9-16-29(45-2)34(24)46-3/h4-18,27H,19-22H2,1-3H3,(H,36,42)
InChIKey	LJJURNTVFKOQAS-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_8313_5455
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/10257107; Labnumber: F0514-3960