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2-((E)-{[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-6-methoxyphenol

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2-((E)-{[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-6-methoxyphenol
SpectraBase Compound ID 7sCt3BmxYAu
InChI InChI=1S/C18H18N4O3S/c1-3-25-14-9-7-12(8-10-14)17-20-21-18(26)22(17)19-11-13-5-4-6-15(24-2)16(13)23/h4-11,23H,3H2,1-2H3,(H,21,26)/b19-11+
InChIKey NWWSZVFKMYUSOD-YBFXNURJSA-N
Mol Weight 370.43 g/mol
Molecular Formula C18H18N4O3S
Exact Mass 370.109962 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9EhtFruHOSZ
Name 2-((E)-{[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-6-methoxyphenol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.109961627 u
Formula C18H18N4O3S
InChI InChI=1S/C18H18N4O3S/c1-3-25-14-9-7-12(8-10-14)17-20-21-18(26)22(17)19-11-13-5-4-6-15(24-2)16(13)23/h4-11,23H,3H2,1-2H3,(H,21,26)/b19-11+
InChIKey NWWSZVFKMYUSOD-YBFXNURJSA-N
Molecular Weight 370.427 g/mol
SMILES SC1=NN=C(N1\N=C\C=1C(=C(C=CC1)OC)O)C1=CC=C(C=C1)OCC