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

SpectraBase Compound ID	92cOpyN9EBK
InChI	InChI=1S/C35H33FN6O4S2/c1-21-7-5-8-29(22(21)2)41-32(19-37-34(44)24-15-26(45-3)17-27(16-24)46-4)38-39-35(41)48-20-33(43)42-30(23-10-12-25(36)13-11-23)18-28(40-42)31-9-6-14-47-31/h5-17,30H,18-20H2,1-4H3,(H,37,44)
InChIKey	AKHGIECGGTVQHT-UHFFFAOYSA-N Google Search
Mol Weight	684.8 g/mol
Molecular Formula	C35H33FN6O4S2
Exact Mass	684.198874 g/mol

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SpectraBase Spectrum ID	ESQ1mX3VwxY
Name	benzamide, N-[[4-(2,3-dimethylphenyl)-5-[[2-[5-(4-fluorophenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4H-1,2,4-triazol-3-yl]methyl]-3,5-dimethoxy-
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/C35H33FN6O4S2/c1-21-7-5-8-29(22(21)2)41-32(19-37-34(44)24-15-26(45-3)17-27(16-24)46-4)38-39-35(41)48-20-33(43)42-30(23-10-12-25(36)13-11-23)18-28(40-42)31-9-6-14-47-31/h5-17,30H,18-20H2,1-4H3,(H,37,44)
InChIKey	AKHGIECGGTVQHT-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_8313_6120
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/10266722