Basic information
- Standard SMILES
Cc1cc([N+](=O)[O-])ccc1N=C1SCCN1Cc1ccccc1- InChIKey
WDYGENBYIUHHMQ-UHFFFAOYSA-N- Molecular formula
- C17H17N3O2S
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.10414797
Names & identifiers
- Preferred name
- 2-(2-Methyl-4-nitrophenylimino)-3-benzyl-1,3-thiazolidine
- IUPAC
- 3-benzyl-N-(2-methyl-4-nitrophenyl)-1,3-thiazolidin-2-imine
Names & synonyms
SCHEMBL7120640SCHEMBL7120643WDYGENBYIUHHMQ-UHFFFAOYSA-N2-(2-methyl-4-nitrophenylimino)-3-benzyl-1,3-thiazolidine
Database identifiers
- PubChem CID
- 18316489
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 446
Related reactions
2 records
Compound notes
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