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2-((E)-{[3-(2-pyridinyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
SpectraBase Compound ID 2qG7cBVgHMv
InChI InChI=1S/C14H11N5OS/c20-12-7-2-1-5-10(12)9-16-19-13(17-18-14(19)21)11-6-3-4-8-15-11/h1-9,20H,(H,18,21)/b16-9+
InChIKey OXKNAHCVOLARDW-CXUHLZMHSA-N
Mol Weight 297.34 g/mol
Molecular Formula C14H11N5OS
Exact Mass 297.068431 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ZnKCgb64Rb
Name 2-((E)-{[3-(2-pyridinyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
Comments Computed using HOSE algorithm
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Exact Mass 297.068431167 u
Formula C14H11N5OS
InChI InChI=1S/C14H11N5OS/c20-12-7-2-1-5-10(12)9-16-19-13(17-18-14(19)21)11-6-3-4-8-15-11/h1-9,20H,(H,18,21)/b16-9+
InChIKey OXKNAHCVOLARDW-CXUHLZMHSA-N
Molecular Weight 297.336 g/mol
SMILES SC1=NN=C(N1\N=C\C=1C(=CC=CC1)O)C=1N=CC=CC1