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

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(2E)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)-2-propenamide
SpectraBase Compound ID GA24idBPWVJ
InChI InChI=1S/C14H15N3OS2/c1-3-19-14-17-16-13(20-14)15-12(18)9-8-11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3,(H,15,16,18)/b9-8+
InChIKey VGADBXCDXXOQRR-CMDGGOBGSA-N
Mol Weight 305.41 g/mol
Molecular Formula C14H15N3OS2
Exact Mass 305.065654 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FLWyGc5JykP
Name (2E)-N-[5-(Ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)-2-propenamide
Comments Computed using HOSE algorithm
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Exact Mass 305.065654462 u
Formula C14H15N3OS2
InChI InChI=1S/C14H15N3OS2/c1-3-19-14-17-16-13(20-14)15-12(18)9-8-11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3,(H,15,16,18)/b9-8+
InChIKey VGADBXCDXXOQRR-CMDGGOBGSA-N
Molecular Weight 305.414 g/mol
SMILES N(C=1SC(SCC)=NN1)C(\C=C\C1=CC=C(C)C=C1)=O