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

SpectraBase Compound ID	Apz4hjXiuBl
InChI	InChI=1S/C36H33FN6O5S/c1-46-27-17-15-23(16-18-27)29-20-30(28-13-8-14-31(47-2)34(28)48-3)43(41-29)33(44)22-49-36-40-39-32(42(36)26-11-5-4-6-12-26)21-38-35(45)24-9-7-10-25(37)19-24/h4-19,30H,20-22H2,1-3H3,(H,38,45)
InChIKey	AFFXVJRJZCQFEM-UHFFFAOYSA-N Google Search
Mol Weight	680.8 g/mol
Molecular Formula	C36H33FN6O5S
Exact Mass	680.221718 g/mol

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SpectraBase Spectrum ID	5RezOKrVKtL
Name	benzamide, N-[[5-[[2-[5-(2,3-dimethoxyphenyl)-4,5-dihydro-3-(4-methoxyphenyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-phenyl-4H-1,2,4-triazol-3-yl]methyl]-3-fluoro-
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/C36H33FN6O5S/c1-46-27-17-15-23(16-18-27)29-20-30(28-13-8-14-31(47-2)34(28)48-3)43(41-29)33(44)22-49-36-40-39-32(42(36)26-11-5-4-6-12-26)21-38-35(45)24-9-7-10-25(37)19-24/h4-19,30H,20-22H2,1-3H3,(H,38,45)
InChIKey	AFFXVJRJZCQFEM-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_8313_5495
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/10257159; Labnumber: F0514-0442