N-[3-(aminocarbonyl)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]-1-(difluoromethyl)-1H-pyrazole-5-carboxamide

SpectraBase Compound ID	7ejomljNVwZ
InChI	InChI=1S/C18H22F2N4O2S/c1-18(2,3)9-4-5-10-12(8-9)27-16(13(10)14(21)25)23-15(26)11-6-7-22-24(11)17(19)20/h6-7,9,17H,4-5,8H2,1-3H3,(H2,21,25)(H,23,26)
InChIKey	WCGNCCZBSDIXHO-UHFFFAOYSA-N Google Search
Mol Weight	396.46 g/mol
Molecular Formula	C18H22F2N4O2S
Exact Mass	396.143153 g/mol

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SpectraBase Spectrum ID	2WfbHyGu0WJ
Name	N-[3-(aminocarbonyl)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]-1-(difluoromethyl)-1H-pyrazole-5-carboxamide
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/C18H22F2N4O2S/c1-18(2,3)9-4-5-10-12(8-9)27-16(13(10)14(21)25)23-15(26)11-6-7-22-24(11)17(19)20/h6-7,9,17H,4-5,8H2,1-3H3,(H2,21,25)(H,23,26)
InChIKey	WCGNCCZBSDIXHO-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_1033
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: UZI/1245114; Labnumber: AC-NHALL/0449741; UZI_ID: UZI-001035
Temperature	308 °C