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(2E)-3-(4-bromophenyl)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-propenamide

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(2E)-3-(4-bromophenyl)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-propenamide
SpectraBase Compound ID JArTatjTZQ3
InChI InChI=1S/C13H12BrN3OS2/c1-2-19-13-17-16-12(20-13)15-11(18)8-5-9-3-6-10(14)7-4-9/h3-8H,2H2,1H3,(H,15,16,18)/b8-5+
InChIKey HBCJEGRAIJIROH-VMPITWQZSA-N
Mol Weight 370.28 g/mol
Molecular Formula C13H12BrN3OS2
Exact Mass 368.960517 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GI5dB68D2BA
Name (2E)-3-(4-Bromophenyl)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-propenamide
Comments Computed using HOSE algorithm
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Exact Mass 368.960517365 u
Formula C13H12BrN3OS2
InChI InChI=1S/C13H12BrN3OS2/c1-2-19-13-17-16-12(20-13)15-11(18)8-5-9-3-6-10(14)7-4-9/h3-8H,2H2,1H3,(H,15,16,18)/b8-5+
InChIKey HBCJEGRAIJIROH-VMPITWQZSA-N
Molecular Weight 370.283 g/mol
SMILES N(C=1SC(SCC)=NN1)C(\C=C\C=1C=CC(=CC1)Br)=O