C21H17N9O2S
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-1-(4-cyanophenyl)ethylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(4-cyanophenyl)ethylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide|1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(4-cyanophenyl)ethylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
CAS: 861122-85-2
| Molecular Formula | C21H17N9O2S |
|---|---|
| Molecular Weight | 459.1226 g/mol |
| LogP | 2.55048 |
| Topological Polar Surface Area | 160.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.1226 |
| Monoisotopic Mass | 459.1226 |
| Heavy Atoms | 33 |
| Complexity | 1338.3248 |
Chemical Identifiers
| CAS Number | 861122-85-2 |
|---|---|
| SMILES | C/C(=N\NC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=CC=CC=C3)/C4=CC=C(C=C4)C#N |
Product Overview
C21H17N9O2S (CAS 861122-85-2), with molecular formula C21H17N9O2S and molecular weight 459.1226 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-1-(4-cyanophenyl)ethylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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