2-[4-(1-Ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-1-phenyl-2-butenylidene]propanedinitrile
Basic information
- CAS
58471-77-5- Standard SMILES
CCN1C(=CC=CC(=C(C#N)C#N)c2ccccc2)Sc2ccc3ccccc3c21- InChIKey
XWYXSKKLNWFZLO-UHFFFAOYSA-N- Molecular formula
- C26H19N3S
- Average molar mass
- 405.5 g/mol
- Monoisotopic mass
- 405.12996879
Names & identifiers
- Preferred name
- 2-[4-(1-Ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-1-phenyl-2-butenylidene]propanedinitrile
- IUPAC
- 2-[4-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)-1-phenylbut-2-enylidene]propanedinitrile
Names & synonyms
DB-2511202-[4-(1-Ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-1-phenyl-2-butenylidene]propanedinitrile
Database identifiers
- CAS
58471-77-5- PubChem CID
- 94068
- DTXSID
DTXSID5069255
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 796
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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