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5-(2-chlorophenyl)-4-{[(E)-(4-propoxyphenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide
SpectraBase Compound ID JafDcmnXTGG
InChI InChI=1S/C18H17ClN4OS/c1-2-11-24-14-9-7-13(8-10-14)12-20-23-17(21-22-18(23)25)15-5-3-4-6-16(15)19/h3-10,12H,2,11H2,1H3,(H,22,25)/b20-12+
InChIKey ONCDREVDYRLKEU-UDWIEESQSA-N
Mol Weight 372.87 g/mol
Molecular Formula C18H17ClN4OS
Exact Mass 372.08116 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7fF1LeE5Yjt
Name 5-(2-Chlorophenyl)-4-{[(E)-(4-propoxyphenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide
Comments Computed using HOSE algorithm
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Exact Mass 372.081160056 u
Formula C18H17ClN4OS
InChI InChI=1S/C18H17ClN4OS/c1-2-11-24-14-9-7-13(8-10-14)12-20-23-17(21-22-18(23)25)15-5-3-4-6-16(15)19/h3-10,12H,2,11H2,1H3,(H,22,25)/b20-12+
InChIKey ONCDREVDYRLKEU-UDWIEESQSA-N
Molecular Weight 372.874 g/mol
SMILES SC=1N(C(=NN1)C1=C(Cl)C=CC=C1)\N=C\C=1C=CC(=CC1)OCCC