AC1OGA3V
3-[[4-methyl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one
Also Known As: 3-((4-methyl-5-((3-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one|F0665-0106|3-[(4-methyl-5-{[(3-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1,3-benzothiazol-2-one|3-[[4-methyl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one
| Molecular Formula | C18H15N5O3S2 |
|---|---|
| Molecular Weight | 413.06165 g/mol |
| LogP | 3.4403 |
| Topological Polar Surface Area | 95.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.06165 |
| Monoisotopic Mass | 413.06165 |
| Heavy Atoms | 28 |
| Complexity | 1227.4172 |
Chemical Identifiers
| CAS Number | 862829-44-5 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=CC(=CC=C2)[N+](=O)[O-])CN3C4=CC=CC=C4SC3=O |
Product Overview
AC1OGA3V (CAS 862829-44-5), with molecular formula C18H15N5O3S2 and molecular weight 413.06165 g/mol. IUPAC: 3-[[4-methyl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one.
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