AC1OBWCU
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N'-(2-Bromo-3-phenylallylidene)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide|N'-[(E,2Z)-2-BROMO-3-PHENYL-2-PROPENYLIDENE]-2-{[4-ETHYL-5-(4-METHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETOHYDRAZIDE|(E)-N'-((Z)-2-bromo-3-phenylallylidene)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide|652-553-8|N'-((E,2Z)-2-BROMO-3-PHENYL-2-PROPENYLIDENE)-2-((4-ETHYL-5-(4-METHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)ACETOHYDRAZIDE|N'-[(1E,2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]-2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide|N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C22H22BrN5O2S |
|---|---|
| Molecular Weight | 499.06775 g/mol |
| LogP | 4.6037 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 499.06775 |
| Monoisotopic Mass | 499.06775 |
| Heavy Atoms | 31 |
| Complexity | 1065.2651 |
Chemical Identifiers
| CAS Number | 307975-59-3 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N/N=C/C(=C/C2=CC=CC=C2)/Br)C3=CC=C(C=C3)OC |
Product Overview
AC1OBWCU (CAS 307975-59-3), with molecular formula C22H22BrN5O2S and molecular weight 499.06775 g/mol. IUPAC: N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
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