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2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
SpectraBase Compound ID CWkUQrRthf1
InChI InChI=1S/C12H12N4O3S2/c13-11-15-16-12(21-11)20-5-10(17)14-4-7-1-2-8-9(3-7)19-6-18-8/h1-3H,4-6H2,(H2,13,15)(H,14,17)
InChIKey LQRXEYFNLFENNS-UHFFFAOYSA-N
Mol Weight 324.37 g/mol
Molecular Formula C12H12N4O3S2
Exact Mass 324.035083 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DQKgcTa2UQT
Name 2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
Comments Computed using HOSE algorithm
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Exact Mass 324.035082607 u
Formula C12H12N4O3S2
InChI InChI=1S/C12H12N4O3S2/c13-11-15-16-12(21-11)20-5-10(17)14-4-7-1-2-8-9(3-7)19-6-18-8/h1-3H,4-6H2,(H2,13,15)(H,14,17)
InChIKey LQRXEYFNLFENNS-UHFFFAOYSA-N
Molecular Weight 324.373 g/mol
SMILES N(C(CSC=1SC(=NN1)N)=O)CC1=CC2=C(OCO2)C=C1