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N(1)-{4-[6'-(2"-Thienyl)-3'-cyano-2'-oxo-1',2'-dihydro-4'-pyridinyl]phenyl}-5-chloro-2-methoxybenzamide
SpectraBase Compound ID 1fnXU1MYmky
InChI InChI=1S/C24H16ClN3O3S/c1-31-21-9-6-15(25)11-18(21)23(29)27-16-7-4-14(5-8-16)17-12-20(22-3-2-10-32-22)28-24(30)19(17)13-26/h2-12H,1H3,(H,27,29)(H,28,30)
InChIKey VSNVQQJXZRPGCF-UHFFFAOYSA-N
Mol Weight 461.92 g/mol
Molecular Formula C24H16ClN3O3S
Exact Mass 461.06009 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9qRNdlClBcS
Name N(1)-{4-[6'-(2"-Thienyl)-3'-cyano-2'-oxo-1',2'-dihydro-4'-pyridinyl]phenyl}-5-chloro-2-methoxybenzamide
Alternate Name(s) 5-chloro-N-[4-(3-cyano-2-oxo-6-thiophen-2-yl-1H-pyridin-4-yl)phenyl]-2-methoxybenzamide 5-chloro-N-[4-[3-cyano-2-oxo-6-(2-thienyl)-1H-pyridin-4-yl]phenyl]-2-methoxy-benzamide 5-chloranyl-N-[4-(3-cyano-2-oxidanylidene-6-thiophen-2-yl-1H-pyridin-4-yl)phenyl]-2-methoxy-benzamide
Comments Less than 3 mono-isotopic peaks
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Formula C24H16ClN3O3S
InChI InChI=1S/C24H16ClN3O3S/c1-31-21-9-6-15(25)11-18(21)23(29)27-16-7-4-14(5-8-16)17-12-20(22-3-2-10-32-22)28-24(30)19(17)13-26/h2-12H,1H3,(H,27,29)(H,28,30)
InChIKey VSNVQQJXZRPGCF-UHFFFAOYSA-N
Molecular Weight 461.923 g/mol
SMILES N1C(=CC(c2ccc(NC(c3c(ccc(c3)Cl)OC)=O)cc2)=C(C1=O)C#N)c1sccc1
SPLASH splash10-000i-0090300000-346cb1641c18dd67614a
Source of Spectrum AH-139-75-12
Wiley ID 1696007