4-quinolinecarboxamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-thienyl)-

SpectraBase Compound ID	5eeOAVFmHtj
InChI	InChI=1S/C21H12ClF3N2OS/c22-15-8-7-12(21(23,24)25)10-17(15)27-20(28)14-11-18(19-6-3-9-29-19)26-16-5-2-1-4-13(14)16/h1-11H,(H,27,28)
InChIKey	CIBGZCXOWOGFFJ-UHFFFAOYSA-N Google Search
Mol Weight	432.85 g/mol
Molecular Formula	C21H12ClF3N2OS
Exact Mass	432.031096 g/mol

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SpectraBase Spectrum ID	GjHr4v3OF4Z
Name	4-Quinolinecarboxamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-thienyl)-
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	432.031096376 u
Formula	C21H12ClF3N2OS
InChI	InChI=1S/C21H12ClF3N2OS/c22-15-8-7-12(21(23,24)25)10-17(15)27-20(28)14-11-18(19-6-3-9-29-19)26-16-5-2-1-4-13(14)16/h1-11H,(H,27,28)
InChIKey	CIBGZCXOWOGFFJ-UHFFFAOYSA-N
Molecular Weight	432.848 g/mol
SMILES	N(C(C1=CC(C=2SC=CC2)=NC=2C1=CC=CC2)=O)C1=CC(C(F)(F)F)=CC=C1Cl