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1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(phenylsulfanyl)methyl]-N'-[(E)-(2,3,4-trimethoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide

View entire compound with spectra: 2 NMR

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(phenylsulfanyl)methyl]-N'-[(E)-(2,3,4-trimethoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID 3EMaok45Zf1
InChI InChI=1S/C22H22N8O5S/c1-32-16-10-9-13(18(33-2)19(16)34-3)11-24-26-22(31)17-15(12-36-14-7-5-4-6-8-14)30(29-25-17)21-20(23)27-35-28-21/h4-11H,12H2,1-3H3,(H2,23,27)(H,26,31)/b24-11+
InChIKey QBFLEIAXOWDDGH-BHGWPJFGSA-N
Mol Weight 510.53 g/mol
Molecular Formula C22H22N8O5S
Exact Mass 510.143387 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EmEFVVMUlQu
Name 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(phenylsulfanyl)methyl]-N'-[(E)-(2,3,4-trimethoxyphenyl)methylidene]-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 510.143387009 u
Formula C22H22N8O5S
InChI InChI=1S/C22H22N8O5S/c1-32-16-10-9-13(18(33-2)19(16)34-3)11-24-26-22(31)17-15(12-36-14-7-5-4-6-8-14)30(29-25-17)21-20(23)27-35-28-21/h4-11H,12H2,1-3H3,(H2,23,27)(H,26,31)/b24-11+
InChIKey QBFLEIAXOWDDGH-BHGWPJFGSA-N
Molecular Weight 510.529 g/mol
SMILES NC=1C(N2C(=C(C(N\N=C\C3=C(C(OC)=C(C=C3)OC)OC)=O)N=N2)CSC=2C=CC=CC2)=NON1