AC1NKSHN
3-(4-methylphenyl)-3-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)propanoic acid
Also Known As: A3564/0151190|3-(3-mercapto-5-(pyridin-4-yl)-4H-1,2,4-triazol-4-yl)-3-(p-tolyl)propanoic acid|3-(4-methylphenyl)-3-[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]propanoic acid|3-(4-methylphenyl)-3-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)propanoic acid|3-(4-METHYLPHENYL)-3-[3-(4-PYRIDYL)-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL]PROPANOIC ACID
| Molecular Formula | C17H16N4O2S |
|---|---|
| Molecular Weight | 340.0994 g/mol |
| LogP | 3.37521 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.0994 |
| Monoisotopic Mass | 340.0994 |
| Heavy Atoms | 24 |
| Complexity | 900.3449 |
Chemical Identifiers
| CAS Number | 696604-48-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(CC(=O)O)N2C(=NNC2=S)C3=CC=NC=C3 |
Product Overview
AC1NKSHN (CAS 696604-48-5), with molecular formula C17H16N4O2S and molecular weight 340.0994 g/mol. IUPAC: 3-(4-methylphenyl)-3-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)propanoic acid.
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