AC1LU0SC
4-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
Also Known As: 4-({[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile|4-(((4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile|4-(((4-(4-CL-PH)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)ME)BENZONITRILE|4-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile|4-{[4-(4-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-ylthio]methyl}benzenecarb onitrile
| Molecular Formula | C21H14ClN5S |
|---|---|
| Molecular Weight | 403.06586 g/mol |
| LogP | 5.14668 |
| Topological Polar Surface Area | 67.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.06586 |
| Monoisotopic Mass | 403.06586 |
| Heavy Atoms | 28 |
| Complexity | 1116.4321 |
Chemical Identifiers
| CAS Number | 613226-00-9 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=NC=C4)C#N |
Product Overview
AC1LU0SC (CAS 613226-00-9), with molecular formula C21H14ClN5S and molecular weight 403.06586 g/mol. IUPAC: 4-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile.
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