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4-[2-Pyrimidyl]piperazine-1-carbothioic acid 2-[1-[2-pyridyl]etylidene]hydrazide
SpectraBase Compound ID FCLR06JASOh
InChI InChI=1S/C16H19N7S/c1-13(14-5-2-3-6-17-14)20-21-16(24)23-11-9-22(10-12-23)15-18-7-4-8-19-15/h2-8H,9-12H2,1H3,(H,21,24)/b20-13+
InChIKey PXPDBWJLVFJUSN-DEDYPNTBSA-N
Mol Weight 341.44 g/mol
Molecular Formula C16H19N7S
Exact Mass 341.142265 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DqmWzXxkNbH
Name 4-[2-Pyrimidyl]piperazine-1-carbothioic acid 2-[1-[2-pyridyl]etylidene]hydrazide
Comments Computed using HOSE algorithm
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Exact Mass 341.142264814 u
Formula C16H19N7S
InChI InChI=1S/C16H19N7S/c1-13(14-5-2-3-6-17-14)20-21-16(24)23-11-9-22(10-12-23)15-18-7-4-8-19-15/h2-8H,9-12H2,1H3,(H,21,24)/b20-13+
InChIKey PXPDBWJLVFJUSN-DEDYPNTBSA-N
Molecular Weight 341.437 g/mol
SMILES C1=CC=CC(=N1)\C(=N\NC(N1CCN(CC1)C1=NC=CC=N1)=S)C