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5-(3-chlorophenyl)-4-{[(E)-(4-ethoxyphenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide
SpectraBase Compound ID F4xpUOQhTis
InChI InChI=1S/C17H15ClN4OS/c1-2-23-15-8-6-12(7-9-15)11-19-22-16(20-21-17(22)24)13-4-3-5-14(18)10-13/h3-11H,2H2,1H3,(H,21,24)/b19-11+
InChIKey YFOVNVVJRKUFNU-YBFXNURJSA-N
Mol Weight 358.85 g/mol
Molecular Formula C17H15ClN4OS
Exact Mass 358.06551 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2WywqbIcsCA
Name 5-(3-Chlorophenyl)-4-{[(E)-(4-ethoxyphenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide
Comments Computed using HOSE algorithm
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Exact Mass 358.065509992 u
Formula C17H15ClN4OS
InChI InChI=1S/C17H15ClN4OS/c1-2-23-15-8-6-12(7-9-15)11-19-22-16(20-21-17(22)24)13-4-3-5-14(18)10-13/h3-11H,2H2,1H3,(H,21,24)/b19-11+
InChIKey YFOVNVVJRKUFNU-YBFXNURJSA-N
Molecular Weight 358.847 g/mol
SMILES SC=1N(C(=NN1)C1=CC(Cl)=CC=C1)\N=C\C1=CC=C(C=C1)OCC