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4'-chloro-2-{[4-methyl-5-(2-methyl-4-thiazolyl)-4H-1,2,4-triazol-3-yl]thio}acetanilide
SpectraBase Compound ID 2DckNMWtNWQ
InChI InChI=1S/C15H14ClN5OS2/c1-9-17-12(7-23-9)14-19-20-15(21(14)2)24-8-13(22)18-11-5-3-10(16)4-6-11/h3-7H,8H2,1-2H3,(H,18,22)
InChIKey CBROBIRKJZOALZ-UHFFFAOYSA-N
Mol Weight 379.88 g/mol
Molecular Formula C15H14ClN5OS2
Exact Mass 379.03283 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H4EIJg2j9W2
Name 4'-Chloro-2-{[4-methyl-5-(2-methyl-4-thiazolyl)-4H-1,2,4-triazol-3-yl]thio}acetanilide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 379.032830138 u
Formula C15H14ClN5OS2
InChI InChI=1S/C15H14ClN5OS2/c1-9-17-12(7-23-9)14-19-20-15(21(14)2)24-8-13(22)18-11-5-3-10(16)4-6-11/h3-7H,8H2,1-2H3,(H,18,22)
InChIKey CBROBIRKJZOALZ-UHFFFAOYSA-N
Molecular Weight 379.884 g/mol
SMILES N(C1=CC=C(C=C1)Cl)C(CSC=1N(C(=NN1)C=1N=C(SC1)C)C)=O