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ETHYL-2-[(1H-BENZO-[D]-IMIDAZOL-2-YL)-METHYLTHIO]-6-CYANO-3,5-DIHYDRO-7-(4-METHOXYPHENYL)-5-OXO-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIDINE-8-CARBOXYLATE
SpectraBase Compound ID LeE2Fbj1tEg
InChI InChI=1S/C25H20N6O4S/c1-3-35-24(33)21-20(14-8-10-15(34-2)11-9-14)16(12-26)23(32)31-22(21)29-25(30-31)36-13-19-27-17-6-4-5-7-18(17)28-19/h4-11H,3,13H2,1-2H3,(H,27,28)(H,29,30)
InChIKey GPZCQYUUGLXNFI-UHFFFAOYSA-N
Mol Weight 500.53 g/mol
Molecular Formula C25H20N6O4S
Exact Mass 500.126674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F7LQSXI22Ht
Name ETHYL-2-[(1H-BENZO-[D]-IMIDAZOL-2-YL)-METHYLTHIO]-6-CYANO-3,5-DIHYDRO-7-(4-METHOXYPHENYL)-5-OXO-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIDINE-8-CARBOXYLATE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H20N6O4S
InChI InChI=1S/C25H20N6O4S/c1-3-35-24(33)21-20(14-8-10-15(34-2)11-9-14)16(12-26)23(32)31-22(21)29-25(30-31)36-13-19-27-17-6-4-5-7-18(17)28-19/h4-11H,3,13H2,1-2H3,(H,27,28)(H,29,30)
InChIKey GPZCQYUUGLXNFI-UHFFFAOYSA-N
Literature Reference Author F.F.ABDEL-MOTAAL,M.A.E.RASLAN
Literature Reference Citation EUR.J.CHEM.,5,481(2014)
Literature Reference DOI 10.5155/eurjchem.5.3.481-487.1054
Molecular Weight 500.532 g/mol
Solvent CDCl3
Source File Reference UWIR17751