AC1M0LU9
(E)-2-cyano-N-(2,5-dimethylphenyl)-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]prop-2-enamide
Also Known As: (E)-2-cyano-N-(2,5-dimethylphenyl)-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]prop-2-enamide|2-cyano-N-(2,5-dimethylphenyl)-3-{4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl}prop-2-enamide
CAS: 1164556-19-7
| Molecular Formula | C21H18N6O3S |
|---|---|
| Molecular Weight | 434.11612 g/mol |
| LogP | 4.03702 |
| Topological Polar Surface Area | 126.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 434.11612 |
| Monoisotopic Mass | 434.11612 |
| Heavy Atoms | 31 |
| Complexity | 1242.1523 |
Chemical Identifiers
| CAS Number | 1164556-19-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)NC(=O)/C(=C/C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-])/C#N |
Product Overview
AC1M0LU9 (CAS 1164556-19-7), with molecular formula C21H18N6O3S and molecular weight 434.11612 g/mol. IUPAC: (E)-2-cyano-N-(2,5-dimethylphenyl)-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]prop-2-enamide.
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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