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acetamide, N-(4-bromophenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-

View entire compound with spectra: 3 NMR

acetamide, N-(4-bromophenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-
SpectraBase Compound ID 54xpze9taA8
InChI InChI=1S/C16H14BrN3OS/c1-10-7-11(2)19-16(14(10)8-18)22-9-15(21)20-13-5-3-12(17)4-6-13/h3-7H,9H2,1-2H3,(H,20,21)
InChIKey ZQQJSEDQUKNVLO-UHFFFAOYSA-N
Mol Weight 376.27 g/mol
Molecular Formula C16H14BrN3OS
Exact Mass 375.004096 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7TuinItuO9Z
Name Acetamide, N-(4-bromophenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-
Comments Computed using HOSE algorithm
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Exact Mass 375.004096256 u
Formula C16H14BrN3OS
InChI InChI=1S/C16H14BrN3OS/c1-10-7-11(2)19-16(14(10)8-18)22-9-15(21)20-13-5-3-12(17)4-6-13/h3-7H,9H2,1-2H3,(H,20,21)
InChIKey ZQQJSEDQUKNVLO-UHFFFAOYSA-N
Molecular Weight 376.272 g/mol
SMILES N(C(CSC1=C(C(=CC(C)=N1)C)C#N)=O)C=1C=CC(=CC1)Br