N-[1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]nicotinamide

SpectraBase Compound ID	BXwh2DBpN9c
InChI	InChI=1S/C18H14F6N4OS/c19-17(20,21)16(18(22,23)24,27-14(29)10-4-3-7-26-9-10)28-15-12(8-25)11-5-1-2-6-13(11)30-15/h3-4,7,9,28H,1-2,5-6H2,(H,27,29)
InChIKey	WFLNORYFUBPFIA-UHFFFAOYSA-N Google Search
Mol Weight	448.39 g/mol
Molecular Formula	C18H14F6N4OS
Exact Mass	448.079251 g/mol

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SpectraBase Spectrum ID	2OO9oWJagnG
Name	N-[1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]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/C18H14F6N4OS/c19-17(20,21)16(18(22,23)24,27-14(29)10-4-3-7-26-9-10)28-15-12(8-25)11-5-1-2-6-13(11)30-15/h3-4,7,9,28H,1-2,5-6H2,(H,27,29)
InChIKey	WFLNORYFUBPFIA-UHFFFAOYSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_ASIOH_7000_4634
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/9233237; Labnumber: AU-0000646; IOH_ID: IOH-004635
Temperature	303 °C