Compound Identification
SMILES
ClC1=CC=C(CCC2(CN3C=CN=C3)OCC(CSC3=CC=C(C=C3)C3=CC=CC=C3)O2)C=C1
InChIKey
InChIKey=NSMRJEKHMMEEGB-UHFFFAOYSA-N
Formula
C28H27ClN2O2S
Mass
491.05
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Biphenyls and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Biphenyls and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Biphenyls and derivatives
Alternative Parents
Phenylbutylamines Thiophenol ethers Alkylarylthioethers Chlorobenzenes Ketals Aryl chlorides N-substituted imidazoles Heteroaromatic compounds 1,3-dioxolanes Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Biphenyl - Phenylbutylamine - Aryl thioether - Thiophenol ether - Ketal - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - N-substituted imidazole - Meta-dioxolane - Azole - Heteroaromatic compound - Imidazole - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
External Descriptors
Not available