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2-({4-allyl-5-[(1-naphthylamino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(E)-2-pyridinylmethylidene]acetohydrazide
SpectraBase Compound ID K5ViaED4x5a
InChI InChI=1S/C24H23N7OS/c1-2-14-31-22(16-26-21-12-7-9-18-8-3-4-11-20(18)21)28-30-24(31)33-17-23(32)29-27-15-19-10-5-6-13-25-19/h2-13,15,26H,1,14,16-17H2,(H,29,32)/b27-15+
InChIKey NOJSSZIFXQTCJI-JFLMPSFJSA-N
Mol Weight 457.56 g/mol
Molecular Formula C24H23N7OS
Exact Mass 457.16848 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C3EV9gGAWAD
Name 2-({4-Allyl-5-[(1-naphthylamino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(E)-2-pyridinylmethylidene]acetohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 457.168479562 u
Formula C24H23N7OS
InChI InChI=1S/C24H23N7OS/c1-2-14-31-22(16-26-21-12-7-9-18-8-3-4-11-20(18)21)28-30-24(31)33-17-23(32)29-27-15-19-10-5-6-13-25-19/h2-13,15,26H,1,14,16-17H2,(H,29,32)/b27-15+
InChIKey NOJSSZIFXQTCJI-JFLMPSFJSA-N
Molecular Weight 457.556 g/mol
SMILES N(\N=C\C=1N=CC=CC1)C(CSC=1N(C(CNC2=C3C(C=CC=C3)=CC=C2)=NN1)CC=C)=O