(((6-(4-Chlorophenylthio)-3-pyridyl)amino)methylene)methane-1,1-dicarbonitrile
Basic information
- CAS
1024335-28-1- Standard SMILES
N#CC(C#N)=CNc1ccc(Sc2ccc(Cl)cc2)nc1- InChIKey
PIXXBVBJJVQQDC-UHFFFAOYSA-N- Molecular formula
- C15H9ClN4S
- Average molar mass
- 312.8 g/mol
- Monoisotopic mass
- 312.0236452
Names & identifiers
- Preferred name
- (((6-(4-Chlorophenylthio)-3-pyridyl)amino)methylene)methane-1,1-dicarbonitrile
- IUPAC
- 2-[[[6-(4-chlorophenyl)sulfanyl-3-pyridinyl]amino]methylidene]propanedinitrile
Names & synonyms
1024335-28-1(((6-(4-CHLOROPHENYLTHIO)-3-PYRIDYL)AMINO)METHYLENE)METHANE-1,1-DICARBONITRILE2-[[[6-(4-chlorophenyl)sulfanylpyridin-3-yl]amino]methylidene]propanedinitrileMFCD00171220C15H9ClN4SDTXSID401145033ZQB33528AKOS022168912MS-109302-[[[6-(4-chlorophenyl)sulfanyl-3-pyridyl]amino]methylene]propanedinitrile2-[[[6-[(4-Chlorophenyl)thio]-3-pyridinyl]amino]methylene]propanedinitrile[({6-[(4-Chlorophenyl)sulfanyl]pyridin-3-yl}amino)methylidene]propanedinitrile
Show more names
2-[({6-[(4-chlorophenyl)sulfanyl]pyridin-3-yl}amino)methylidene]propanedinitrile
Database identifiers
- CAS
1024335-28-1- PubChem CID
- 4686388
- DTXSID
DTXSID401145033
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 97.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 449
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Compound notes
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