2-[[5-[(3,4-dichlorophenyl)methylsulfanylmethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
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Basic information
- CAS
723298-43-9- Standard SMILES
CCn1c(CSCc2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1ccccc1OC- InChIKey
CXJOQCKZMKPSAO-UHFFFAOYSA-N- Molecular formula
- C21H22Cl2N4O2S2
- Average molar mass
- 497.5 g/mol
- Monoisotopic mass
- 496.0561237
Names & identifiers
- Preferred name
- 2-[[5-[(3,4-dichlorophenyl)methylsulfanylmethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
- IUPAC
- 2-[[5-[(3,4-dichlorophenyl)methylsulfanylmethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
- English name
- 2-[(5-{[(3,4-dichlorobenzyl)sulfanyl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
- Molecular formula
- C21H22Cl2N4O2S2
- Molecular weight
- 497.46098
Names & synonyms
2-[(5-{[(3,4-dichlorobenzyl)sulfanyl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide2-[[5-[(3,4-dichlorophenyl)methylsulfanylmethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamideAN-698/42261903
Database identifiers
- CAS
723298-43-9- PubChem CID
- 1021932
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 565
Related reactions
0 records
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Compound notes
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