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N-{5-[(2-anilino-2-oxoethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-chloroacetamide
SpectraBase Compound ID GUh7Y5oSzeW
InChI InChI=1S/C12H11ClN4O2S2/c13-6-9(18)15-11-16-17-12(21-11)20-7-10(19)14-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,19)(H,15,16,18)
InChIKey ULAYIDFDCLVTQO-UHFFFAOYSA-N
Mol Weight 342.82 g/mol
Molecular Formula C12H11ClN4O2S2
Exact Mass 342.001196 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Ks5lm8YYZl
Name N-{5-[(2-Anilino-2-oxoethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-chloroacetamide
Comments Computed using HOSE algorithm
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Exact Mass 342.001195656 u
Formula C12H11ClN4O2S2
InChI InChI=1S/C12H11ClN4O2S2/c13-6-9(18)15-11-16-17-12(21-11)20-7-10(19)14-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,19)(H,15,16,18)
InChIKey ULAYIDFDCLVTQO-UHFFFAOYSA-N
Molecular Weight 342.819 g/mol
SMILES N(C(CSC=1SC(=NN1)NC(=O)CCl)=O)C1=CC=CC=C1