4-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)benzamide

SpectraBase Compound ID	DonuUcbwxqw
InChI	InChI=1S/C20H17ClN4OS/c21-15-10-23-25(12-15)11-13-5-7-14(8-6-13)19(26)24-20-17(9-22)16-3-1-2-4-18(16)27-20/h5-8,10,12H,1-4,11H2,(H,24,26)
InChIKey	VPEISSXJNDORBD-UHFFFAOYSA-N Google Search
Mol Weight	396.9 g/mol
Molecular Formula	C20H17ClN4OS
Exact Mass	396.08116 g/mol

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SpectraBase Spectrum ID	LAdBzcN9VIN
Name	4-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)benzamide
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/C20H17ClN4OS/c21-15-10-23-25(12-15)11-13-5-7-14(8-6-13)19(26)24-20-17(9-22)16-3-1-2-4-18(16)27-20/h5-8,10,12H,1-4,11H2,(H,24,26)
InChIKey	VPEISSXJNDORBD-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_4653
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/9099231; Labnumber: BIUS-619939; UZI_ID: UZI-004655
Temperature	308 °C