CBMicro_029985
methyl 4-[(E)-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]hydrazinylidene]methyl]benzoate
Also Known As: CBMicro_029985|BIM-0029969.P001|methyl 4-[(E)-(2-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazinylidene)methyl]benzoate|methyl 4-[(E)-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]hydrazinylidene]methyl]benzoate|ME 4-(2-(((4,5-DIPHENYL-4H-1,2,4-TRIAZOL-3-YL)THIO)AC)CARBOHYDRAZONOYL)BENZOATE|(E)-methyl 4-((2-(2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoate|METHYL 4-[(E)-({2-[(4,5-DIPHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDO}IMINO)METHYL]BENZOATE|methyl 4-{(1E)-2-[2-(4,5-diphenyl(1,2,4-triazol-3-ylthio))acetylamino]-2-azavi nyl}benzoate
| Molecular Formula | C25H21N5O3S |
|---|---|
| Molecular Weight | 471.1365 g/mol |
| LogP | 3.9633 |
| Topological Polar Surface Area | 98.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 471.1365 |
| Monoisotopic Mass | 471.1365 |
| Heavy Atoms | 34 |
| Complexity | 1289.4027 |
Chemical Identifiers
| CAS Number | 306756-18-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=N/NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
CBMicro_029985 (CAS 306756-18-3), with molecular formula C25H21N5O3S and molecular weight 471.1365 g/mol. IUPAC: methyl 4-[(E)-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]hydrazinylidene]methyl]benzoate.