AC1MJNFB
N-(3-chloro-2-methylphenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: BAS 02241119|N-(3-chloro-2-methylphenyl)-2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide|AG-690/40699058|N-(3-chloro-2-methylphenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide|N-(3-Chloro-2-methylphenyl)-2-((4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide|N-(3-CHLORO-2-METHYLPHENYL)-2-{[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDE|N-(3-chloro-2-methylphenyl)-2-(4-ethyl-5-(3-pyridyl)(1,2,4-triazol-3-ylthio))a cetamide|649-216-2|N-(3-Chloro-2-methylphenyl)-2-((4-ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetamide|N-(3-chloro-2-methylphenyl)-2-[(4-ethyl-5-pyridin-3-yl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C18H18ClN5OS |
|---|---|
| Molecular Weight | 387.09207 g/mol |
| LogP | 4.05262 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.09207 |
| Monoisotopic Mass | 387.09207 |
| Heavy Atoms | 26 |
| Complexity | 913.1998 |
Chemical Identifiers
| CAS Number | 333331-41-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C(=CC=C2)Cl)C)C3=CN=CC=C3 |
Product Overview
AC1MJNFB (CAS 333331-41-2), with molecular formula C18H18ClN5OS and molecular weight 387.09207 g/mol. IUPAC: N-(3-chloro-2-methylphenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.