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

View entire compound with spectra: 2 NMR

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,4-dimethoxyphenyl)methylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID HESEa6LKdtu
InChI InChI=1S/C22H22N8O4S/c1-13-4-8-16(9-5-13)35-12-17-19(25-29-30(17)21-20(23)27-34-28-21)22(31)26-24-11-14-6-7-15(32-2)10-18(14)33-3/h4-11H,12H2,1-3H3,(H2,23,27)(H,26,31)/b24-11+
InChIKey DHDMCPOLNMDFOQ-BHGWPJFGSA-N
Mol Weight 494.53 g/mol
Molecular Formula C22H22N8O4S
Exact Mass 494.148472 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K0cuxF7nf0E
Name 1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,4-dimethoxyphenyl)methylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-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 494.148472390 u
Formula C22H22N8O4S
InChI InChI=1S/C22H22N8O4S/c1-13-4-8-16(9-5-13)35-12-17-19(25-29-30(17)21-20(23)27-34-28-21)22(31)26-24-11-14-6-7-15(32-2)10-18(14)33-3/h4-11H,12H2,1-3H3,(H2,23,27)(H,26,31)/b24-11+
InChIKey DHDMCPOLNMDFOQ-BHGWPJFGSA-N
Molecular Weight 494.530 g/mol
SMILES N(\N=C\C1=C(C=C(C=C1)OC)OC)C(C1=C(N(C=2C(=NON2)N)N=N1)CSC=1C=CC(=CC1)C)=O