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2-[(5-cyano-2-keto-4-o-phenetyl-3,4-dihydro-1H-pyridin-6-yl)thio]-N-(4-iodophenyl)acetamide
SpectraBase Compound ID 8LIrkWEEiz9
InChI InChI=1S/C22H20IN3O3S/c1-2-29-19-6-4-3-5-16(19)17-11-20(27)26-22(18(17)12-24)30-13-21(28)25-15-9-7-14(23)8-10-15/h3-10,17H,2,11,13H2,1H3,(H,25,28)(H,26,27)
InChIKey PLSMHELRFXBGAN-UHFFFAOYSA-N
Mol Weight 533.38 g/mol
Molecular Formula C22H20IN3O3S
Exact Mass 533.027008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6FnH0nNTHGT
Name 2-[(5-cyano-2-keto-4-o-phenetyl-3,4-dihydro-1H-pyridin-6-yl)thio]-N-(4-iodophenyl)acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20IN3O3S
InChI InChI=1S/C22H20IN3O3S/c1-2-29-19-6-4-3-5-16(19)17-11-20(27)26-22(18(17)12-24)30-13-21(28)25-15-9-7-14(23)8-10-15/h3-10,17H,2,11,13H2,1H3,(H,25,28)(H,26,27)
InChIKey PLSMHELRFXBGAN-UHFFFAOYSA-N
Molecular Weight 533.384 g/mol
SMILES N1C(CC(C(=C1SCC(Nc1ccc(cc1)I)=O)C#N)c1c(OCC)cccc1)=O
SPLASH splash10-014i-7890000000-d152ccd2dc6ef1efc28d
Synonyms 2-[[5-cyano-4-(2-ethoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-iodophenyl)ethanamide 2-[[5-cyano-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-iodophenyl)acetamide 2-[[5-cyano-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]thio]-N-(4-iodophenyl)acetamide
Wiley ID 1454895