AC1LNXX9
2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone
Also Known As: 2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone|2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethanone
CAS: 832091-14-2
| Molecular Formula | C22H18N4O5S |
|---|---|
| Molecular Weight | 450.0998 g/mol |
| LogP | 4.7691 |
| Topological Polar Surface Area | 113.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 450.0998 |
| Monoisotopic Mass | 450.0998 |
| Heavy Atoms | 32 |
| Complexity | 1327.1123 |
Chemical Identifiers
| CAS Number | 832091-14-2 |
|---|---|
| SMILES | COC1=CC=CC2=C1OC(=C2)C3=NN=C(N3CC=C)SCC(=O)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
AC1LNXX9 (CAS 832091-14-2), with molecular formula C22H18N4O5S and molecular weight 450.0998 g/mol. IUPAC: 2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone.
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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