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2-{[5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-phenylmethylidene]acetohydrazide
SpectraBase Compound ID K0Sb2qiCmo6
InChI InChI=1S/C18H16ClN5OS/c1-24-17(14-7-9-15(19)10-8-14)22-23-18(24)26-12-16(25)21-20-11-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,21,25)/b20-11+
InChIKey QWMMSQWNODWHTK-RGVLZGJSSA-N
Mol Weight 385.87 g/mol
Molecular Formula C18H16ClN5OS
Exact Mass 385.076409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DK1L5ZGdizw
Name 2-{[5-(4-Chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-phenylmethylidene]acetohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 385.076409028 u
Formula C18H16ClN5OS
InChI InChI=1S/C18H16ClN5OS/c1-24-17(14-7-9-15(19)10-8-14)22-23-18(24)26-12-16(25)21-20-11-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,21,25)/b20-11+
InChIKey QWMMSQWNODWHTK-RGVLZGJSSA-N
Molecular Weight 385.873 g/mol
SMILES N(\N=C\C=1C=CC=CC1)C(CSC=1N(C(=NN1)C=1C=CC(=CC1)Cl)C)=O