Compound Identification
SMILES
CC(C)C1=CC=CC(C(C)C)=C1N=C(C)C1=CC=CC(=N1)C1=CC2=CC=CC=C2S1
InChIKey
InChIKey=JJCOEYQOGPNOSK-UHFFFAOYSA-N
Formula
C27H28N2S
Mass
412.6
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 1-benzothiophenes 2,3,5-trisubstituted thiophenes Pyridines and derivatives Secondary ketimines Heteroaromatic compounds Azomethines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiophene - 1-benzothiophene - Cumene - Phenylpropane - 2,3,5-trisubstituted thiophene - Pyridine - Azomethine - Heteroaromatic compound - Secondary ketimine - Thiophene - Ketimine - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Imine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic 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