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4-[((E)-{5-[(4-chloro-3,5-dimethylphenoxy)methyl]-2-furyl}methylidene)amino]-5-methyl-4H-1,2,4-triazol-3-yl hydrosulfide
SpectraBase Compound ID 95ugYmPDSa0
InChI InChI=1S/C17H17ClN4O2S/c1-10-6-15(7-11(2)16(10)18)23-9-14-5-4-13(24-14)8-19-22-12(3)20-21-17(22)25/h4-8H,9H2,1-3H3,(H,21,25)/b19-8+
InChIKey BKHGKTWULKUKNA-UFWORHAWSA-N
Mol Weight 376.86 g/mol
Molecular Formula C17H17ClN4O2S
Exact Mass 376.076075 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 37KkiEcDx2b
Name 4-[((E)-{5-[(4-chloro-3,5-dimethylphenoxy)methyl]-2-furyl}methylidene)amino]-5-methyl-4H-1,2,4-triazol-3-yl hydrosulfide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.076074675 u
Formula C17H17ClN4O2S
InChI InChI=1S/C17H17ClN4O2S/c1-10-6-15(7-11(2)16(10)18)23-9-14-5-4-13(24-14)8-19-22-12(3)20-21-17(22)25/h4-8H,9H2,1-3H3,(H,21,25)/b19-8+
InChIKey BKHGKTWULKUKNA-UFWORHAWSA-N
Molecular Weight 376.862 g/mol
SMILES SC1=NN=C(N1\N=C\C=1OC(COC=2C=C(C(=C(C2)C)Cl)C)=CC1)C