For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-[4-cyano-3-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]sulfanyl-isothiazol-5-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID ADhgv86GkYh
InChI InChI=1S/C22H14F6N4O2S3/c23-21(24,25)12-1-5-14(6-2-12)30-17(33)10-35-19-16(9-29)20(37-32-19)36-11-18(34)31-15-7-3-13(4-8-15)22(26,27)28/h1-8H,10-11H2,(H,30,33)(H,31,34)
InChIKey UFDLVZPYQIUFNE-UHFFFAOYSA-N
Mol Weight 576.55 g/mol
Molecular Formula C22H14F6N4O2S3
Exact Mass 576.018308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Cp8ymQxjDCQ
Name 2-[4-cyano-3-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]sulfanyl-isothiazol-5-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H14F6N4O2S3
InChI InChI=1S/C22H14F6N4O2S3/c23-21(24,25)12-1-5-14(6-2-12)30-17(33)10-35-19-16(9-29)20(37-32-19)36-11-18(34)31-15-7-3-13(4-8-15)22(26,27)28/h1-8H,10-11H2,(H,30,33)(H,31,34)
InChIKey UFDLVZPYQIUFNE-UHFFFAOYSA-N
Molecular Weight 576.550 g/mol
SMILES N(C(CSc1snc(SCC(=O)Nc2ccc(cc2)C(F)(F)F)c1C#N)=O)c1ccc(cc1)C(F)(F)F
SPLASH splash10-03xr-4920100000-2680650aa5ebeff763cd
Synonyms 2-[[4-cyano-3-[2-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]amino]ethyl]sulfanyl-1,2-thiazol-5-yl]sulfanyl]-N-[4-(trifluoromethyl)phenyl]ethanamide 2-[[4-cyano-3-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]sulfanyl-1,2-thiazol-5-yl]sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide 2-[[4-cyano-3-[[2-keto-2-[4-(trifluoromethyl)anilino]ethyl]thio]isothiazol-5-yl]thio]-N-[4-(trifluoromethyl)phenyl]acetamide 2-[[4-cyano-3-[[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]thio]-5-isothiazolyl]thio]-N-[4-(trifluoromethyl)phenyl]acetamide
Wiley ID 1512484