MLS000579087
N-[(Z)-2-(4-bromophenyl)-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethenyl]-4-methylbenzamide
Also Known As: N-[2-(4-bromophenyl)-1-(5-mercapto-4H-1,2,4-triazol-3-yl)vinyl]-4-methylbenzamide|N-[(Z)-2-(4-bromophenyl)-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethenyl]-4-methylbenzamide|N-[2-(4-bromophenyl)-1-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)vinyl]-4-methylbenzamide|N-[(Z)-2-(4-bromophenyl)-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethenyl]-4-methyl-benzamide|N-[(Z)-2-(4-Bromophenyl)-1-(5-sulfanylidene-2,5-dihydro-1H-1,2,4-triazol-3-yl)ethen-1-yl]-4-methylbenzamide|N-[(Z)-2-(4-bromophenyl)-1-(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)vinyl]-4-methyl-benzamide
| Molecular Formula | C18H15BrN4OS |
|---|---|
| Molecular Weight | 414.01498 g/mol |
| LogP | 4.46631 |
| Topological Polar Surface Area | 73.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.01498 |
| Monoisotopic Mass | 414.01498 |
| Heavy Atoms | 25 |
| Complexity | 971.3156 |
Chemical Identifiers
| CAS Number | 5652-34-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)Br)/C3=NC(=S)NN3 |
Product Overview
MLS000579087 (CAS 5652-34-6), with molecular formula C18H15BrN4OS and molecular weight 414.01498 g/mol. IUPAC: N-[(Z)-2-(4-bromophenyl)-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethenyl]-4-methylbenzamide.
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