Compound Identification
SMILES
COC1=CC(=CC(OC)=C1OC)C1=NN=C(CSC2=NN=C(NC3=CC=C(C=C3)C(C)C)S2)O1
InChIKey
InChIKey=RAIOPVNVVOYZBU-UHFFFAOYSA-N
Formula
C23H25N5O4S2
Mass
499.6
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 Aniline and substituted anilines Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers 2-amino-5-substituted-1,3,4-thiadiazoles Alkylarylthioethers Heteroaromatic compounds 1,3,4-oxadiazoles Azacyclic compounds Oxacyclic compounds Sulfenyl compounds Secondary amines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpropane - Cumene - Phenoxy compound - Aryl thioether - Phenol ether - Anisole - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Alkylarylthioether - 2-amino-5-substituted-1,3,4-thiadiazole - 2-amino-1,3,4-thiadiazole - Oxadiazole - Heteroaromatic compound - Thiadiazole - 1,3,4-oxadiazole - Azole - Oxacycle - Azacycle - Ether - Organoheterocyclic compound - Sulfenyl compound - Thioether - Secondary amine - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen 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