AC1LY3WB
4-[4-(4-chlorophenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]pyridine
Also Known As: 4-[4-(4-chlorophenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl]pyridine|4-[4-(4-chlorophenyl)-5-cinnamylsulfanyl-1,2,4-triazol-3-yl]pyridine|(E)-4-(4-(4-chlorophenyl)-5-(cinnamylthio)-4H-1,2,4-triazol-3-yl)pyridine|4-(4-(4-CHLOROPHENYL)-5-(CINNAMYLSULFANYL)-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE|4-[4-(4-chlorophenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]pyridine
| Molecular Formula | C22H17ClN4S |
|---|---|
| Molecular Weight | 404.08624 g/mol |
| LogP | 5.7882 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.08624 |
| Monoisotopic Mass | 404.08624 |
| Heavy Atoms | 28 |
| Complexity | 1060.9142 |
Chemical Identifiers
| CAS Number | 613225-69-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=NC=C4 |
Product Overview
AC1LY3WB (CAS 613225-69-7), with molecular formula C22H17ClN4S and molecular weight 404.08624 g/mol. IUPAC: 4-[4-(4-chlorophenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]pyridine.
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