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N-[5-(3,4-dichlorobenzyl)-1,3,4-thiadiazol-2-yl]-N'-(4-methylphenyl)urea

View entire compound with spectra: 2 NMR

N-[5-(3,4-dichlorobenzyl)-1,3,4-thiadiazol-2-yl]-N'-(4-methylphenyl)urea
SpectraBase Compound ID LQio7LUGhWP
InChI InChI=1S/C17H14Cl2N4OS/c1-10-2-5-12(6-3-10)20-16(24)21-17-23-22-15(25-17)9-11-4-7-13(18)14(19)8-11/h2-8H,9H2,1H3,(H2,20,21,23,24)
InChIKey IKLWNWGTAGAGNP-UHFFFAOYSA-N
Mol Weight 393.29 g/mol
Molecular Formula C17H14Cl2N4OS
Exact Mass 392.026538 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E65XjS7YncN
Name N-[5-(3,4-Dichlorobenzyl)-1,3,4-thiadiazol-2-yl]-N'-(4-methylphenyl)urea
Comments Computed using HOSE algorithm
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Exact Mass 392.026537660 u
Formula C17H14Cl2N4OS
InChI InChI=1S/C17H14Cl2N4OS/c1-10-2-5-12(6-3-10)20-16(24)21-17-23-22-15(25-17)9-11-4-7-13(18)14(19)8-11/h2-8H,9H2,1H3,(H2,20,21,23,24)
InChIKey IKLWNWGTAGAGNP-UHFFFAOYSA-N
Molecular Weight 393.292 g/mol
SMILES N(C=1SC(CC2=CC(Cl)=C(C=C2)Cl)=NN1)C(NC1=CC=C(C=C1)C)=O