AC1MZ9SJ
1-(4-chlorophenyl)-2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: 2-((4-Allyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-chlorophenyl)ethanone|2-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-chlorophenyl)ethanone|1-(4-CHLOROPHENYL)-2-[(5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4-(PROP-2-EN-1-YL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ETHAN-1-ONE|1-(4-chlorophenyl)-2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone|2-((4-Allyl-5-(((4-methylphenyl)sulfanyl)methyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-1-(4-chlorophenyl)ethanone|644-638-3
| Molecular Formula | C21H20ClN3OS2 |
|---|---|
| Molecular Weight | 429.07364 g/mol |
| LogP | 5.69322 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 429.07364 |
| Monoisotopic Mass | 429.07364 |
| Heavy Atoms | 28 |
| Complexity | 952.787 |
Chemical Identifiers
| CAS Number | 540775-07-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC2=NN=C(N2CC=C)SCC(=O)C3=CC=C(C=C3)Cl |
Product Overview
AC1MZ9SJ (CAS 540775-07-3), with molecular formula C21H20ClN3OS2 and molecular weight 429.07364 g/mol. IUPAC: 1-(4-chlorophenyl)-2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone.