Basic information
- CAS
724453-58-1- Standard SMILES
Nc1nnc(SCc2ccc(C(=O)Nc3ccccc3)cc2)n1-c1ccccc1- InChIKey
ZMPISBZWLCAXNS-UHFFFAOYSA-N- Molecular formula
- C22H19N5OS
- Average molar mass
- 401.5 g/mol
- Monoisotopic mass
- 401.13103142
Names & identifiers
- Preferred name
- 4-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenylbenzamide
- IUPAC
- 4-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenylbenzamide
- English name
- 4-{[(5-amino-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-N-phenylbenzamide
- Molecular formula
- C22H19N5OS
- Molecular weight
- 401.48416
Names & synonyms
4-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenylbenzamideAQ-088/424712854-{[(5-amino-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-N-phenylbenzamide
Database identifiers
- CAS
724453-58-1- PubChem CID
- 7312523
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 515
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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