AC1NPE1S
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(5-phenyl-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)methanone
Also Known As: (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(5-phenyl-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)methanone|5-METHYL-3-PHENYLISOXAZOL-4-YL 5-PHENYL-3-PROP-2-YNYLTHIO(1,2,4-TRIAZOLYL) KETONE|(5-methyl-3-phenyl-isoxazol-4-yl)-(5-phenyl-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)methanone
CAS: 1024446-68-1
| Molecular Formula | C22H16N4O2S |
|---|---|
| Molecular Weight | 400.0994 g/mol |
| LogP | 4.32232 |
| Topological Polar Surface Area | 73.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.0994 |
| Monoisotopic Mass | 400.0994 |
| Heavy Atoms | 29 |
| Complexity | 1190.7877 |
Chemical Identifiers
| CAS Number | 1024446-68-1 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3C(=NC(=N3)SCC#C)C4=CC=CC=C4 |
Product Overview
AC1NPE1S (CAS 1024446-68-1), with molecular formula C22H16N4O2S and molecular weight 400.0994 g/mol. IUPAC: (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(5-phenyl-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)methanone.
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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