AC1M10SM
4-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
Also Known As: 4-({[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile|4-(((5-(pyrazin-2-yl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile|4-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile|4-{[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-ylthio]methyl}benzenecar bonitrile
| Molecular Formula | C21H16N6S |
|---|---|
| Molecular Weight | 384.11572 g/mol |
| LogP | 4.1967 |
| Topological Polar Surface Area | 80.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.11572 |
| Monoisotopic Mass | 384.11572 |
| Heavy Atoms | 28 |
| Complexity | 1112.532 |
Chemical Identifiers
| CAS Number | 896595-34-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)C4=NC=CN=C4 |
Product Overview
AC1M10SM (CAS 896595-34-9), with molecular formula C21H16N6S and molecular weight 384.11572 g/mol. IUPAC: 4-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile.
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