AC1OBMVZ
2-[3-[(E)-[3-(4-tert-butylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetic acid
Also Known As: (E)-2-(3-(((3-(4-(tert-butyl)phenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)imino)methyl)phenoxy)acetic acid|[3-((E)-{[3-(4-TERT-BUTYLPHENYL)-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL]IMINO}METHYL)PHENOXY]ACETIC ACID|{3-[(E)-{[3-(4-tert-butylphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]phenoxy}acetic acid|2-[3-[(E)-[3-(4-tert-butylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetic acid
| Molecular Formula | C21H22N4O3S |
|---|---|
| Molecular Weight | 410.14127 g/mol |
| LogP | 4.25079 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.14127 |
| Monoisotopic Mass | 410.14127 |
| Heavy Atoms | 29 |
| Complexity | 1092.1042 |
Chemical Identifiers
| CAS Number | 613230-71-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=CC(=CC=C3)OCC(=O)O |
Product Overview
AC1OBMVZ (CAS 613230-71-0), with molecular formula C21H22N4O3S and molecular weight 410.14127 g/mol. IUPAC: 2-[3-[(E)-[3-(4-tert-butylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetic acid.
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