Basic information
- CAS
338428-08-3- Standard SMILES
CCc1nnc(NC(=O)CSc2nnc(CNc3ccc(C)c(Cl)c3)n2-c2ccccc2)s1- InChIKey
ILUNUHSSSHYQGK-UHFFFAOYSA-N- Molecular formula
- C22H22ClN7OS2
- Average molar mass
- 500 g/mol
Names & identifiers
- Preferred name
- 2-[[5-[(3-chloro-4-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
- IUPAC
- 2-[[5-[(3-chloro-4-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
- English name
- 2-({5-[(3-chloro-4-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
- Molecular formula
- C22H22ClN7OS2
- Molecular weight
- 500.03938
Names & synonyms
2-({5-[(3-chloro-4-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamideAKOS0005698862-[[5-[(3-chloro-4-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamideST50262923AG-690/407528072-(5-{[(3-chloro-4-methylphenyl)amino]methyl}-4-phenyl(1,2,4-triazol-3-ylthio) )-N-(5-ethyl(1,3,4-thiadiazol-2-yl))acetamide
Database identifiers
- CAS
338428-08-3
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 630
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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