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N-(4-bromophenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

View entire compound with spectra: 2 NMR

N-(4-bromophenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
SpectraBase Compound ID ATAgQz8Wa9G
InChI InChI=1S/C12H12BrN3OS2/c1-8-15-16-12(19-8)18-7-6-11(17)14-10-4-2-9(13)3-5-10/h2-5H,6-7H2,1H3,(H,14,17)
InChIKey FFITUUPMDIBAKH-UHFFFAOYSA-N
Mol Weight 358.27 g/mol
Molecular Formula C12H12BrN3OS2
Exact Mass 356.960517 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HSq3ZNi6Wl4
Name N-(4-Bromophenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
Comments Computed using HOSE algorithm
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Exact Mass 356.960517365 u
Formula C12H12BrN3OS2
InChI InChI=1S/C12H12BrN3OS2/c1-8-15-16-12(19-8)18-7-6-11(17)14-10-4-2-9(13)3-5-10/h2-5H,6-7H2,1H3,(H,14,17)
InChIKey FFITUUPMDIBAKH-UHFFFAOYSA-N
Molecular Weight 358.272 g/mol
SMILES N(C(CCSC=1SC(=NN1)C)=O)C1=CC=C(C=C1)Br