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1-((E)-{[3-(2-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2-naphthol
SpectraBase Compound ID 4fIZtX3RoBh
InChI InChI=1S/C19H13ClN4OS/c20-16-8-4-3-7-14(16)18-22-23-19(26)24(18)21-11-15-13-6-2-1-5-12(13)9-10-17(15)25/h1-11,25H,(H,23,26)/b21-11+
InChIKey NDKTTYUWARTVMR-SRZZPIQSSA-N
Mol Weight 380.85 g/mol
Molecular Formula C19H13ClN4OS
Exact Mass 380.04986 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Wh4ArulO4l
Name 1-((E)-{[3-(2-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2-naphthol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.049859928 u
Formula C19H13ClN4OS
InChI InChI=1S/C19H13ClN4OS/c20-16-8-4-3-7-14(16)18-22-23-19(26)24(18)21-11-15-13-6-2-1-5-12(13)9-10-17(15)25/h1-11,25H,(H,23,26)/b21-11+
InChIKey NDKTTYUWARTVMR-SRZZPIQSSA-N
Molecular Weight 380.853 g/mol
SMILES SC1=NN=C(N1\N=C\C1=C(C=CC2=C1C=CC=C2)O)C1=C(Cl)C=CC=C1