Compound Identification
SMILES
CCOC(=O)C(C#N)=C1C(CCC2=CC=CC=C12)SC1=NC(C)=CC(C)=N1
InChIKey
InChIKey=RHODVPHJPBJEIQ-UHFFFAOYSA-N
Formula
C21H21N3O2S
Mass
379.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Tetralins
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Tetralins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Tetralins
Alternative Parents
Alkylarylthioethers Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Enoate esters Sulfenyl compounds Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tetralin - Aryl thioether - Alkylarylthioether - Pyrimidine - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Thioether - Sulfenyl compound - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Cyanide - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
External Descriptors
Not available