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N(1)-{4'-[3"-Cyano-2"-thioxo-6"-(p-fluorophenyl)-1",2"-dihydro-4"-pyridinyl]phenyl}-5-chloro-2-methoxybenzamide
SpectraBase Compound ID FIxnI3itlS2
InChI InChI=1S/C26H17ClFN3O2S/c1-33-24-11-6-17(27)12-21(24)25(32)30-19-9-4-15(5-10-19)20-13-23(31-26(34)22(20)14-29)16-2-7-18(28)8-3-16/h2-13H,1H3,(H,30,32)(H,31,34)
InChIKey UXXYKXTWIUYCND-UHFFFAOYSA-N
Mol Weight 489.95 g/mol
Molecular Formula C26H17ClFN3O2S
Exact Mass 489.071404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IbTL9rqfINK
Name N(1)-{4'-[3"-Cyano-2"-thioxo-6"-(p-fluorophenyl)-1",2"-dihydro-4"-pyridinyl]phenyl}-5-chloro-2-methoxybenzamide
Comments Less than 3 mono-isotopic peaks
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Formula C26H17ClFN3O2S
InChI InChI=1S/C26H17ClFN3O2S/c1-33-24-11-6-17(27)12-21(24)25(32)30-19-9-4-15(5-10-19)20-13-23(31-26(34)22(20)14-29)16-2-7-18(28)8-3-16/h2-13H,1H3,(H,30,32)(H,31,34)
InChIKey UXXYKXTWIUYCND-UHFFFAOYSA-N
Molecular Weight 489.952 g/mol
SMILES N1C(=CC(c2ccc(NC(c3c(ccc(c3)Cl)OC)=O)cc2)=C(C1=S)C#N)c1ccc(cc1)F
SPLASH splash10-004r-0070900000-118712bb993ed0849330
Source of Spectrum AH-138-1025-11
Synonyms 5-chloro-N-[4-[3-cyano-6-(4-fluorophenyl)-2-sulfanylidene-1H-pyridin-4-yl]phenyl]-2-methoxybenzamide 5-chloranyl-N-[4-[3-cyano-6-(4-fluorophenyl)-2-sulfanylidene-1H-pyridin-4-yl]phenyl]-2-methoxy-benzamide
Wiley ID 1612485