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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[4-(methylsulfanyl)phenyl]methylidene}-5-propyl-1H-1,2,3-triazole-4-carbohydrazide

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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[4-(methylsulfanyl)phenyl]methylidene}-5-propyl-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID Gx91O2tYO41
InChI InChI=1S/C16H18N8O2S/c1-3-4-12-13(19-23-24(12)15-14(17)21-26-22-15)16(25)20-18-9-10-5-7-11(27-2)8-6-10/h5-9H,3-4H2,1-2H3,(H2,17,21)(H,20,25)/b18-9+
InChIKey ZAWGQKUMMAPXSI-GIJQJNRQSA-N
Mol Weight 386.43 g/mol
Molecular Formula C16H18N8O2S
Exact Mass 386.127343 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ln598fjG0OR
Name 1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[4-(methylsulfanyl)phenyl]methylidene}-5-propyl-1H-1,2,3-triazole-4-carbohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.127343024 u
Formula C16H18N8O2S
InChI InChI=1S/C16H18N8O2S/c1-3-4-12-13(19-23-24(12)15-14(17)21-26-22-15)16(25)20-18-9-10-5-7-11(27-2)8-6-10/h5-9H,3-4H2,1-2H3,(H2,17,21)(H,20,25)/b18-9+
InChIKey ZAWGQKUMMAPXSI-GIJQJNRQSA-N
Molecular Weight 386.434 g/mol
SMILES N(\N=C\C=1C=CC(=CC1)SC)C(C=1N=NN(C=2C(=NON2)N)C1CCC)=O