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Acetamide, 2-[[4-cyano-3-[[2-[(4-fluorophenyl)amino]-2-oxoethyl]thio]-5-isothiazolyl]thio]-N-(4-fluorophenyl)-
SpectraBase Compound ID LoonL8KID8g
InChI InChI=1S/C20H14F2N4O2S3/c21-12-1-5-14(6-2-12)24-17(27)10-29-19-16(9-23)20(31-26-19)30-11-18(28)25-15-7-3-13(22)4-8-15/h1-8H,10-11H2,(H,24,27)(H,25,28)
InChIKey KFXRGOFYIVBCAL-UHFFFAOYSA-N
Mol Weight 476.53 g/mol
Molecular Formula C20H14F2N4O2S3
Exact Mass 476.024696 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CiIDVlpSvvK
Name Acetamide, 2-[[4-cyano-3-[[2-[(4-fluorophenyl)amino]-2-oxoethyl]thio]-5-isothiazolyl]thio]-N-(4-fluorophenyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H14F2N4O2S3
InChI InChI=1S/C20H14F2N4O2S3/c21-12-1-5-14(6-2-12)24-17(27)10-29-19-16(9-23)20(31-26-19)30-11-18(28)25-15-7-3-13(22)4-8-15/h1-8H,10-11H2,(H,24,27)(H,25,28)
InChIKey KFXRGOFYIVBCAL-UHFFFAOYSA-N
Molecular Weight 476.535 g/mol
SMILES N(C(CSc1snc(SCC(=O)Nc2ccc(cc2)F)c1C#N)=O)c1ccc(cc1)F
SPLASH splash10-03dl-9700000000-92715f0c901950923da5
Source of Spectrum IY-1-4592-6
Synonyms 2-[[4-cyano-3-[[2-(4-fluoroanilino)-2-oxoethyl]thio]-5-isothiazolyl]thio]-N-(4-fluorophenyl)acetamide 2-[[4-cyano-3-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,2-thiazol-5-yl]sulfanyl]-N-(4-fluorophenyl)acetamide 2-[4-cyano-3-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanyl-isothiazol-5-yl]sulfanyl-N-(4-fluorophenyl)acetamide 2-[[4-cyano-3-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2-thiazol-5-yl]sulfanyl]-N-(4-fluorophenyl)ethanamide
Wiley ID 1653909