AC1LDDIG
4-[[5-(3-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
Also Known As: 4-({[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile|4-(((4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile|4-[[5-(3-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile|4-{[5-(3-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-ylthio]methyl}benzenecarb onitrile
| Molecular Formula | C19H15ClN4S |
|---|---|
| Molecular Weight | 366.0706 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.0706 |
| Monoisotopic Mass | 366.0706 |
| Heavy Atoms | 25 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 862184-65-4 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC2=CC=C(C=C2)C#N)C3=CC(=CC=C3)Cl |
| InChIKey | ZSHYJMUGLJPHON-UHFFFAOYSA-N |
Product Overview
AC1LDDIG (CAS 862184-65-4), with molecular formula C19H15ClN4S and molecular weight 366.0706 g/mol. IUPAC: 4-[[5-(3-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile.
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