Compound Identification
SMILES
CC(C)c1ccccc1Nc1nnc(SCc2ccoc2)[nH]1
InChIKey
InChIKey=WBEWXICVXWDFIC-UHFFFAOYSA-N
Formula
C16H18N4OS
Mass
314.41
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 Alkylarylthioethers Triazoles Heteroaromatic compounds Furans Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cumene - Phenylpropane - Aryl thioether - Aniline or substituted anilines - Alkylarylthioether - Azole - Furan - Heteroaromatic compound - 1,2,4-triazole - Oxacycle - Thioether - Azacycle - Sulfenyl compound - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - 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