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N-{5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3,4,5-trimethoxybenzamide

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N-{5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3,4,5-trimethoxybenzamide
SpectraBase Compound ID G13YwljFy2v
InChI InChI=1S/C19H18BrN3O5S/c1-25-14-8-11(9-15(26-2)17(14)27-3)18(24)21-19-23-22-16(29-19)10-28-13-6-4-12(20)5-7-13/h4-9H,10H2,1-3H3,(H,21,23,24)
InChIKey BFDAQWNLYPFNAQ-UHFFFAOYSA-N
Mol Weight 480.33 g/mol
Molecular Formula C19H18BrN3O5S
Exact Mass 479.015055 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KVLlB15iS8Q
Name N-{5-[(4-Bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3,4,5-trimethoxybenzamide
Comments Computed using HOSE algorithm
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Exact Mass 479.015054861 u
Formula C19H18BrN3O5S
InChI InChI=1S/C19H18BrN3O5S/c1-25-14-8-11(9-15(26-2)17(14)27-3)18(24)21-19-23-22-16(29-19)10-28-13-6-4-12(20)5-7-13/h4-9H,10H2,1-3H3,(H,21,23,24)
InChIKey BFDAQWNLYPFNAQ-UHFFFAOYSA-N
Molecular Weight 480.333 g/mol
SMILES N(C=1SC(COC=2C=CC(=CC2)Br)=NN1)C(C1=CC(OC)=C(C(=C1)OC)OC)=O