AC1OAKO1
4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
Also Known As: SR-01000252945-1|4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione|(E)-4-((4-chloro-3-nitrobenzylidene)amino)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol|4-[(4-chloro-3-nitrobenzylidene)amino]-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol|4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C14H9ClN6O2S |
|---|---|
| Molecular Weight | 360.01962 g/mol |
| LogP | 3.44649 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.01962 |
| Monoisotopic Mass | 360.01962 |
| Heavy Atoms | 24 |
| Complexity | 982.4298 |
Chemical Identifiers
| CAS Number | 488744-11-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1/C=N/N2C(=NNC2=S)C3=CC=NC=C3)[N+](=O)[O-])Cl |
Product Overview
AC1OAKO1 (CAS 488744-11-2), with molecular formula C14H9ClN6O2S and molecular weight 360.01962 g/mol. IUPAC: 4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione.
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