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1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-N'-[(E)-mesitylmethylidene]-1H-1,2,3-triazole-4-carbohydrazide

View entire compound with spectra: 2 NMR

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-N'-[(E)-mesitylmethylidene]-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID oYvekq4udc
InChI InChI=1S/C22H21ClN8O2S/c1-12-8-13(2)17(14(3)9-12)10-25-27-22(32)19-18(11-34-16-6-4-15(23)5-7-16)31(30-26-19)21-20(24)28-33-29-21/h4-10H,11H2,1-3H3,(H2,24,28)(H,27,32)/b25-10+
InChIKey RYSJFZIZWYXSLZ-KIBLKLHPSA-N
Mol Weight 496.98 g/mol
Molecular Formula C22H21ClN8O2S
Exact Mass 496.119671 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9fqZnS2LK0k
Name 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-N'-[(E)-mesitylmethylidene]-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 496.119670820 u
Formula C22H21ClN8O2S
InChI InChI=1S/C22H21ClN8O2S/c1-12-8-13(2)17(14(3)9-12)10-25-27-22(32)19-18(11-34-16-6-4-15(23)5-7-16)31(30-26-19)21-20(24)28-33-29-21/h4-10H,11H2,1-3H3,(H2,24,28)(H,27,32)/b25-10+
InChIKey RYSJFZIZWYXSLZ-KIBLKLHPSA-N
Molecular Weight 496.977 g/mol
SMILES N(\N=C\C1=C(C=C(C=C1C)C)C)C(C1=C(N(C=2C(=NON2)N)N=N1)CSC=1C=CC(=CC1)Cl)=O