Compound Identification
SMILES
CC(C)C1=CC=C(OCC2=NN=C(SCC3=C(Cl)C=C(Cl)C=C3)N2C)C=C1
InChIKey
InChIKey=HYPTXWYPGYREJO-UHFFFAOYSA-N
Formula
C20H21Cl2N3OS
Mass
422.37
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Cumenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Cumenes
Intermediate Tree Nodes
Not available
Direct Parent
Cumenes
Alternative Parents
Phenylpropanes Phenoxy compounds Phenol ethers Dichlorobenzenes Alkylarylthioethers Alkyl aryl ethers Aryl chlorides Triazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cumene - Phenylpropane - Phenoxy compound - Aryl thioether - 1,3-dichlorobenzene - Phenol ether - Alkyl aryl ether - Chlorobenzene - Alkylarylthioether - Halobenzene - Aryl chloride - Aryl halide - Heteroaromatic compound - Azole - 1,2,4-triazole - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Ether - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organosulfur compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
External Descriptors
Not available