2-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-phenyl-6-(trifluoromethyl)nicotinamide

SpectraBase Compound ID	GXXdSwDlnqh
InChI	InChI=1S/C19H16F3N5O3S/c1-10-16(27(29)30)11(2)26(25-10)9-31-18-15(17(23)28)13(12-6-4-3-5-7-12)8-14(24-18)19(20,21)22/h3-8H,9H2,1-2H3,(H2,23,28)
InChIKey	SORGCHXDJGKXLP-UHFFFAOYSA-N Google Search
Mol Weight	451.42 g/mol
Molecular Formula	C19H16F3N5O3S
Exact Mass	451.092595 g/mol

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SpectraBase Spectrum ID	6VbQRmlH9LW
Name	2-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-phenyl-6-(trifluoromethyl)nicotinamide
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/C19H16F3N5O3S/c1-10-16(27(29)30)11(2)26(25-10)9-31-18-15(17(23)28)13(12-6-4-3-5-7-12)8-14(24-18)19(20,21)22/h3-8H,9H2,1-2H3,(H2,23,28)
InChIKey	SORGCHXDJGKXLP-UHFFFAOYSA-N
NMR Offset	15.3548
NMR Spectrometer Frequency	300.133
Observed nucleus	1H
Origin	1H_UZI_26187_16608
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	CDCl3
Source File Reference	VendorID: UZI/1265864; Labnumber: OLG0974; UZI_ID: UZI-016612
Temperature	303 °C