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N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-2-(phenylsulfanyl)acetamide

View entire compound with spectra: 2 NMR

N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-2-(phenylsulfanyl)acetamide
SpectraBase Compound ID J96P9Gunl7r
InChI InChI=1S/C18H17N3O2S2/c1-23-14-9-7-13(8-10-14)11-17-20-21-18(25-17)19-16(22)12-24-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,19,21,22)
InChIKey RYWNRXYWLWTXFY-UHFFFAOYSA-N
Mol Weight 371.47 g/mol
Molecular Formula C18H17N3O2S2
Exact Mass 371.076219 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JGT37hTq1uo
Name N-[5-(4-Methoxybenzyl)-1,3,4-thiadiazol-2-yl]-2-(phenylsulfanyl)acetamide
Comments Computed using HOSE algorithm
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Exact Mass 371.076219145 u
Formula C18H17N3O2S2
InChI InChI=1S/C18H17N3O2S2/c1-23-14-9-7-13(8-10-14)11-17-20-21-18(25-17)19-16(22)12-24-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,19,21,22)
InChIKey RYWNRXYWLWTXFY-UHFFFAOYSA-N
Molecular Weight 371.473 g/mol
SMILES N(C=1SC(CC2=CC=C(C=C2)OC)=NN1)C(=O)CSC1=CC=CC=C1