AC1OB3TI
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(E)-furan-2-ylmethylideneamino]acetamide
Also Known As: BAS 00547387|2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(E)-furan-2-ylmethylideneamino]acetamide|AG-690/37019042|2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-(2-furylmethylene)acetohydrazide|(E)-2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(furan-2-ylmethylene)acetohydrazide|2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio]-N'-[(E)-2-furylmethylidene]acetohydrazide|N-((1E)-2-(2-furyl)-1-azavinyl)-2-(4,5-diphenyl(1,2,4-triazol-3-ylthio))acetam ide|2-[(4,5-DIPHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N'-[(E)-(FURAN-2-YL)METHYLIDENE]ACETOHYDRAZIDE|2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(E)-furan-2-ylmethylidene]acetohydrazide
| Molecular Formula | C21H17N5O2S |
|---|---|
| Molecular Weight | 403.1103 g/mol |
| LogP | 3.7697 |
| Topological Polar Surface Area | 85.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.1103 |
| Monoisotopic Mass | 403.1103 |
| Heavy Atoms | 29 |
| Complexity | 1092.8339 |
Chemical Identifiers
| CAS Number | 306756-41-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N/N=C/C4=CC=CO4 |
Product Overview
AC1OB3TI (CAS 306756-41-2), with molecular formula C21H17N5O2S and molecular weight 403.1103 g/mol. IUPAC: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(E)-furan-2-ylmethylideneamino]acetamide.