AC1OC0IJ
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2-carbamoylanilino)methyl]-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]triazole-4-carboxamide
Also Known As: (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(4-(methylthio)benzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide|1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2-carbamoylanilino)methyl]-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]triazole-4-carboxamide|2-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-4-({(2E)-2-[4-(methylsulfanyl)benzylidene]hydrazinyl}carbonyl)-1H-1,2,3-triazol-5-yl]methyl}amino)benzamide
| Molecular Formula | C21H20N10O3S |
|---|---|
| Molecular Weight | 492.14404 g/mol |
| LogP | 1.4293 |
| Topological Polar Surface Area | 192.23 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 492.14404 |
| Monoisotopic Mass | 492.14404 |
| Heavy Atoms | 35 |
| Complexity | 1380.2655 |
Chemical Identifiers
| CAS Number | 848990-87-4 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)/C=N/NC(=O)C2=C(N(N=N2)C3=NON=C3N)CNC4=CC=CC=C4C(=O)N |
Product Overview
AC1OC0IJ (CAS 848990-87-4), with molecular formula C21H20N10O3S and molecular weight 492.14404 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2-carbamoylanilino)methyl]-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]triazole-4-carboxamide.
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