N-[1-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-2-methyl-propanamide

SpectraBase Compound ID	9gbJbCFQqWC
InChI	InChI=1S/C17H19F6N3OS/c1-9(2)13(27)25-15(16(18,19)20,17(21,22)23)26-14-11(8-24)10-6-4-3-5-7-12(10)28-14/h9,26H,3-7H2,1-2H3,(H,25,27)
InChIKey	XOHULKBIWJOYGX-UHFFFAOYSA-N Google Search
Mol Weight	427.41 g/mol
Molecular Formula	C17H19F6N3OS
Exact Mass	427.115302 g/mol

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SpectraBase Spectrum ID	1IitEKNDhvs
Name	N-[1-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-2-methyl-propanamide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H19F6N3OS
InChI	InChI=1S/C17H19F6N3OS/c1-9(2)13(27)25-15(16(18,19)20,17(21,22)23)26-14-11(8-24)10-6-4-3-5-7-12(10)28-14/h9,26H,3-7H2,1-2H3,(H,25,27)
InChIKey	XOHULKBIWJOYGX-UHFFFAOYSA-N
Molecular Weight	427.409 g/mol
SMILES	N(c1c(c2CCCCCc2s1)C#N)C(NC(=O)C(C)C)(C(F)(F)F)C(F)(F)F
SPLASH	splash10-0006-9511000000-09ebe02d19e1a26c2d80
Synonyms	N-[1-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-2-methyl-propionamide N-[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylpropanamide N-[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl]-2-methyl-propanamide
Wiley ID	1448109