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2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N'-[(2-pyridinylsulfanyl)acetyl]acetohydrazide
SpectraBase Compound ID AEirdsyf8oA
InChI InChI=1S/C12H13N5O2S3/c1-8-14-17-12(22-8)21-7-10(19)16-15-9(18)6-20-11-4-2-3-5-13-11/h2-5H,6-7H2,1H3,(H,15,18)(H,16,19)
InChIKey GSTJELKOWMNNAA-UHFFFAOYSA-N
Mol Weight 355.45 g/mol
Molecular Formula C12H13N5O2S3
Exact Mass 355.023138 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3dpwFwAkD2X
Name 2-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N'-[(2-pyridinylsulfanyl)acetyl]acetohydrazide
Comments Computed using HOSE algorithm
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Exact Mass 355.023138199 u
Formula C12H13N5O2S3
InChI InChI=1S/C12H13N5O2S3/c1-8-14-17-12(22-8)21-7-10(19)16-15-9(18)6-20-11-4-2-3-5-13-11/h2-5H,6-7H2,1H3,(H,15,18)(H,16,19)
InChIKey GSTJELKOWMNNAA-UHFFFAOYSA-N
Molecular Weight 355.449 g/mol
SMILES N(C(=O)CSC=1N=CC=CC1)NC(CSC=1SC(=NN1)C)=O