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

SpectraBase Compound ID	4JMnqLl3ylm
InChI	InChI=1S/C36H36N6O4S2/c1-23-15-16-24(2)28(18-23)41-32(21-37-33(43)19-25-10-6-5-7-11-25)38-39-36(41)48-22-34(44)42-29(20-27(40-42)31-14-9-17-47-31)26-12-8-13-30(45-3)35(26)46-4/h5-18,29H,19-22H2,1-4H3,(H,37,43)
InChIKey	OZUMWMGYTXKFQF-UHFFFAOYSA-N Google Search
Mol Weight	680.8 g/mol
Molecular Formula	C36H36N6O4S2
Exact Mass	680.223946 g/mol

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SpectraBase Spectrum ID	8kLF4NmpsqY
Name	benzeneacetamide, N-[[5-[[2-[5-(2,3-dimethoxyphenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(2,5-dimethylphenyl)-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/C36H36N6O4S2/c1-23-15-16-24(2)28(18-23)41-32(21-37-33(43)19-25-10-6-5-7-11-25)38-39-36(41)48-22-34(44)42-29(20-27(40-42)31-14-9-17-47-31)26-12-8-13-30(45-3)35(26)46-4/h5-18,29H,19-22H2,1-4H3,(H,37,43)
InChIKey	OZUMWMGYTXKFQF-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_8313_5456
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/10257110; Labnumber: F0514-3996