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N-{5-[(E)-1-cyano-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide
SpectraBase Compound ID 2q1AFxNAVpf
InChI InChI=1S/C20H16N4O2S/c1-13-4-3-5-15(10-13)18(25)22-20-24-23-19(27-20)16(12-21)11-14-6-8-17(26-2)9-7-14/h3-11H,1-2H3,(H,22,24,25)/b16-11+
InChIKey LTMRMWNEAWOCRR-LFIBNONCSA-N
Mol Weight 376.43 g/mol
Molecular Formula C20H16N4O2S
Exact Mass 376.099397 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FG03mM0cvcu
Name N-{5-[(E)-1-Cyano-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide
Comments Computed using HOSE algorithm
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Exact Mass 376.099396943 u
Formula C20H16N4O2S
InChI InChI=1S/C20H16N4O2S/c1-13-4-3-5-15(10-13)18(25)22-20-24-23-19(27-20)16(12-21)11-14-6-8-17(26-2)9-7-14/h3-11H,1-2H3,(H,22,24,25)/b16-11+
InChIKey LTMRMWNEAWOCRR-LFIBNONCSA-N
Molecular Weight 376.434 g/mol
SMILES N(C=1SC(\C(=C\C2=CC=C(C=C2)OC)C#N)=NN1)C(C1=CC(C)=CC=C1)=O