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2-{[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-3-pyridinylmethylidene]acetohydrazide
SpectraBase Compound ID 2MPlFaYDH96
InChI InChI=1S/C19H20N6OS/c1-3-25-18(16-8-6-14(2)7-9-16)23-24-19(25)27-13-17(26)22-21-12-15-5-4-10-20-11-15/h4-12H,3,13H2,1-2H3,(H,22,26)/b21-12+
InChIKey SSSXXJVWWQADFK-CIAFOILYSA-N
Mol Weight 380.47 g/mol
Molecular Formula C19H20N6OS
Exact Mass 380.14193 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2lBHYbxoOab
Name 2-{[4-Ethyl-5-(4-methylphenyl)-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 380.141930461 u
Formula C19H20N6OS
InChI InChI=1S/C19H20N6OS/c1-3-25-18(16-8-6-14(2)7-9-16)23-24-19(25)27-13-17(26)22-21-12-15-5-4-10-20-11-15/h4-12H,3,13H2,1-2H3,(H,22,26)/b21-12+
InChIKey SSSXXJVWWQADFK-CIAFOILYSA-N
Molecular Weight 380.470 g/mol
SMILES N(\N=C\C=1C=NC=CC1)C(CSC=1N(C(=NN1)C1=CC=C(C=C1)C)CC)=O