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N1-[4-[3-CYANO-2-THIOXO-6-(2-THIENYL)-1,2-DIHYDRO-4-PYRIDINYL]-PHENYL]-5-CHLORO-2-METHOXYBENZAMIDE
SpectraBase Compound ID 8snq7UowmDX
InChI InChI=1S/C24H16ClN3O2S2/c1-30-21-9-6-15(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(31)19(17)13-26/h2-12H,1H3,(H,27,29)(H,28,31)
InChIKey RIVYGTNWOYTNFU-UHFFFAOYSA-N
Mol Weight 477.98 g/mol
Molecular Formula C24H16ClN3O2S2
Exact Mass 477.037247 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L3KcvMO4JwO
Name N(1)-{4-[6'-(2"-Thienyl)-3'-cyano-2'-thioxo-1',2'-dihydro-4'-pyridinyl]phenyl}-5-chloro-2-methoxybenzamide
Alternate Name(s) 5-chloro-N-[4-(3-cyano-2-sulfanylidene-6-thiophen-2-yl-1H-pyridin-4-yl)phenyl]-2-methoxybenzamide 5-chloranyl-N-[4-(3-cyano-2-sulfanylidene-6-thiophen-2-yl-1H-pyridin-4-yl)phenyl]-2-methoxy-benzamide
Comments Less than 3 mono-isotopic peaks
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Formula C24H16ClN3O2S2
InChI InChI=1S/C24H16ClN3O2S2/c1-30-21-9-6-15(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(31)19(17)13-26/h2-12H,1H3,(H,27,29)(H,28,31)
InChIKey RIVYGTNWOYTNFU-UHFFFAOYSA-N
Molecular Weight 477.984 g/mol
SMILES N1C(=CC(c2ccc(NC(c3c(ccc(c3)Cl)OC)=O)cc2)=C(C1=S)C#N)c1sccc1
SPLASH splash10-001i-0090200000-2318260e9d99603315a9
Source of Spectrum AH-139-75-16
Wiley ID 1696005