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acetamide, N-[3-(acetylamino)phenyl]-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]-
SpectraBase Compound ID IFMkOusNuse
InChI InChI=1S/C19H20N4O2S/c1-11-12(2)17(9-20)19(21-13(11)3)26-10-18(25)23-16-7-5-6-15(8-16)22-14(4)24/h5-8H,10H2,1-4H3,(H,22,24)(H,23,25)
InChIKey HSQBQRHHPNPUDH-UHFFFAOYSA-N
Mol Weight 368.46 g/mol
Molecular Formula C19H20N4O2S
Exact Mass 368.130697 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID o7gIXHmVut
Name Acetamide, N-[3-(acetylamino)phenyl]-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]-
Comments Computed using HOSE algorithm
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Exact Mass 368.130697072 u
Formula C19H20N4O2S
InChI InChI=1S/C19H20N4O2S/c1-11-12(2)17(9-20)19(21-13(11)3)26-10-18(25)23-16-7-5-6-15(8-16)22-14(4)24/h5-8H,10H2,1-4H3,(H,22,24)(H,23,25)
InChIKey HSQBQRHHPNPUDH-UHFFFAOYSA-N
Molecular Weight 368.455 g/mol
SMILES N(C(CSC1=C(C(=C(C(C)=N1)C)C)C#N)=O)C1=CC(NC(=O)C)=CC=C1