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2-(2-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-quinolinecarboxamide
SpectraBase Compound ID 5a94wf4DKVR
InChI InChI=1S/C20H16N4OS/c1-12-7-3-4-8-14(12)18-11-16(15-9-5-6-10-17(15)21-18)19(25)22-20-24-23-13(2)26-20/h3-11H,1-2H3,(H,22,24,25)
InChIKey QGYHVEGZQUWYFU-UHFFFAOYSA-N
Mol Weight 360.44 g/mol
Molecular Formula C20H16N4OS
Exact Mass 360.104482 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GFeCeQCkNPA
Name 2-(2-Methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 360.104482324 u
Formula C20H16N4OS
InChI InChI=1S/C20H16N4OS/c1-12-7-3-4-8-14(12)18-11-16(15-9-5-6-10-17(15)21-18)19(25)22-20-24-23-13(2)26-20/h3-11H,1-2H3,(H,22,24,25)
InChIKey QGYHVEGZQUWYFU-UHFFFAOYSA-N
SMILES N(C=1SC(C)=NN1)C(C=1C=C(C2=C(C)C=CC=C2)N=C2C1C=CC=C2)=O