2-[5-(1-Cyano-2-imino-2-phenylethylidene)-1,2,4-trithiolan-3-ylidene]-3-imino-3-phenylpropanenitrile
Basic information
- CAS
64247-77-4- Standard SMILES
N#CC(C(=N)c1ccccc1)=C1SSC(=C(C#N)C(=N)c2ccccc2)S1- InChIKey
PZHYZFKULDZSQA-UHFFFAOYSA-N- Molecular formula
- C20H12N4S3
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 404.02240992
Names & identifiers
- Preferred name
- 2-[5-(1-Cyano-2-imino-2-phenylethylidene)-1,2,4-trithiolan-3-ylidene]-3-imino-3-phenylpropanenitrile
- IUPAC
- 2-[5-(1-cyano-2-imino-2-phenylethylidene)-1,2,4-trithiolan-3-ylidene]-3-imino-3-phenylpropanenitrile
Names & synonyms
NSC-298803N5XJ7VUP6Z2-[5-(1-cyano-2-imino-2-phenylethylidene)-1,2,4-trithiolan-3-ylidene]-3-imino-3-phenylpropanenitrile
Database identifiers
- CAS
64247-77-4- PubChem CID
- 326756
- UNII
- N5XJ7VUP6Z
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 171 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 715
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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