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2-{[5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-3-pyridinylmethylidene]acetohydrazide
SpectraBase Compound ID C7edaXfHbhq
InChI InChI=1S/C17H15ClN6OS/c1-24-16(13-4-6-14(18)7-5-13)22-23-17(24)26-11-15(25)21-20-10-12-3-2-8-19-9-12/h2-10H,11H2,1H3,(H,21,25)/b20-10+
InChIKey IDZDAGBAUASRLX-KEBDBYFISA-N
Mol Weight 386.86 g/mol
Molecular Formula C17H15ClN6OS
Exact Mass 386.071658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G4uIJe3wXGF
Name 2-{[5-(4-Chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-3-pyridinylmethylidene]acetohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.071658000 u
Formula C17H15ClN6OS
InChI InChI=1S/C17H15ClN6OS/c1-24-16(13-4-6-14(18)7-5-13)22-23-17(24)26-11-15(25)21-20-10-12-3-2-8-19-9-12/h2-10H,11H2,1H3,(H,21,25)/b20-10+
InChIKey IDZDAGBAUASRLX-KEBDBYFISA-N
Molecular Weight 386.861 g/mol
SMILES N(\N=C\C=1C=NC=CC1)C(CSC=1N(C(=NN1)C=1C=CC(=CC1)Cl)C)=O