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

SpectraBase Compound ID	F6U5a0Yajbv
InChI	InChI=1S/C35H34N6O4S2/c1-23-10-7-13-25(18-23)40-31(21-36-32(42)19-24-11-5-4-6-12-24)37-38-35(40)47-22-33(43)41-28(20-27(39-41)30-16-9-17-46-30)26-14-8-15-29(44-2)34(26)45-3/h4-18,28H,19-22H2,1-3H3,(H,36,42)
InChIKey	QKHXCMMRAWJZCB-UHFFFAOYSA-N Google Search
Mol Weight	666.8 g/mol
Molecular Formula	C35H34N6O4S2
Exact Mass	666.208296 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	KUyQuQWNb1I
Name	benzeneacetamide, N-[[5-[[2-[5-(2,3-dimethoxyphenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(3-methylphenyl)-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/C35H34N6O4S2/c1-23-10-7-13-25(18-23)40-31(21-36-32(42)19-24-11-5-4-6-12-24)37-38-35(40)47-22-33(43)41-28(20-27(39-41)30-16-9-17-46-30)26-14-8-15-29(44-2)34(26)45-3/h4-18,28H,19-22H2,1-3H3,(H,36,42)
InChIKey	QKHXCMMRAWJZCB-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_8313_5458
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/10257112; Labnumber: F0514-4008