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

SpectraBase Compound ID	2OpbnGhTTxo
InChI	InChI=1S/C34H31ClN6O4S2/c1-44-28-14-7-13-25(33(28)45-2)27-19-26(29-15-8-16-46-29)39-41(27)32(43)21-47-34-38-37-30(40(34)24-12-6-11-23(35)18-24)20-36-31(42)17-22-9-4-3-5-10-22/h3-16,18,27H,17,19-21H2,1-2H3,(H,36,42)
InChIKey	JMERHNVAKGZCOU-UHFFFAOYSA-N Google Search
Mol Weight	687.2 g/mol
Molecular Formula	C34H31ClN6O4S2
Exact Mass	686.153674 g/mol

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SpectraBase Spectrum ID	C9vv7QDkVCf
Name	benzeneacetamide, N-[[4-(3-chlorophenyl)-5-[[2-[5-(2,3-dimethoxyphenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-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/C34H31ClN6O4S2/c1-44-28-14-7-13-25(33(28)45-2)27-19-26(29-15-8-16-46-29)39-41(27)32(43)21-47-34-38-37-30(40(34)24-12-6-11-23(35)18-24)20-36-31(42)17-22-9-4-3-5-10-22/h3-16,18,27H,17,19-21H2,1-2H3,(H,36,42)
InChIKey	JMERHNVAKGZCOU-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_8313_5451
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/10257103; Labnumber: F0514-3912