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2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide
SpectraBase Compound ID 34AJHmmGgBA
InChI InChI=1S/C16H12Cl2N4OS2/c17-10-6-7-12(18)13(8-10)20-14(23)9-24-16-22-21-15(25-16)19-11-4-2-1-3-5-11/h1-8H,9H2,(H,19,21)(H,20,23)
InChIKey NWVMDWPDRORLBF-UHFFFAOYSA-N
Mol Weight 411.33 g/mol
Molecular Formula C16H12Cl2N4OS2
Exact Mass 409.982959 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5665IkT3W7U
Name 2-[(5-Anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide
Comments Computed using HOSE algorithm
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Exact Mass 409.982958769 u
Formula C16H12Cl2N4OS2
InChI InChI=1S/C16H12Cl2N4OS2/c17-10-6-7-12(18)13(8-10)20-14(23)9-24-16-22-21-15(25-16)19-11-4-2-1-3-5-11/h1-8H,9H2,(H,19,21)(H,20,23)
InChIKey NWVMDWPDRORLBF-UHFFFAOYSA-N
Molecular Weight 411.325 g/mol
SMILES N(C1=CC(Cl)=CC=C1Cl)C(CSC=1SC(=NN1)NC=1C=CC=CC1)=O