AC1O0H6O
9-(3-methylthiophen-2-yl)-2-[(4-nitrophenyl)methylsulfanyl]-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: 9-(3-methylthiophen-2-yl)-2-[(4-nitrobenzyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one|9-(3-methyl(2-thienyl))-2-[(4-nitrophenyl)methylthio]-4,5,6,7,9,10-hexahydro-1 ,2,4-triazolo[5,1-b]quinazolin-8-one|9-(3-methylthiophen-2-yl)-2-((4-nitrobenzyl)thio)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one|9-(3-methylthiophen-2-yl)-2-[(4-nitrobenzyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol|9-(3-methylthiophen-2-yl)-2-[(4-nitrophenyl)methylsulfanyl]-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one|9-(3-METHYLTHIOPHEN-2-YL)-2-{[(4-NITROPHENYL)METHYL]SULFANYL}-4H,5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[3,2-B]QUINAZOLIN-8-ONE
| Molecular Formula | C21H19N5O3S2 |
|---|---|
| Molecular Weight | 453.09293 g/mol |
| LogP | 4.87052 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.09293 |
| Monoisotopic Mass | 453.09293 |
| Heavy Atoms | 31 |
| Complexity | 1212.0881 |
Chemical Identifiers
| CAS Number | 727403-27-2 |
|---|---|
| SMILES | CC1=C(SC=C1)C2C3=C(CCCC3=O)NC4=NC(=NN24)SCC5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
AC1O0H6O (CAS 727403-27-2), with molecular formula C21H19N5O3S2 and molecular weight 453.09293 g/mol. IUPAC: 9-(3-methylthiophen-2-yl)-2-[(4-nitrophenyl)methylsulfanyl]-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.