Compound Identification
SMILES
CC(C)CC1=CC=C(C=C1)C1=CSC(=N1)C(=CNC1=CC(Cl)=CC=C1)C#N
InChIKey
InChIKey=HAHMOOVOXJYKTR-UHFFFAOYSA-N
Formula
C22H20ClN3S
Mass
393.93
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylpropanes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylpropanes
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanes
Alternative Parents
Aniline and substituted anilines Chlorobenzenes 2,4-disubstituted thiazoles Aryl chlorides Heteroaromatic compounds Nitriles Enamines Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpropane - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Heteroaromatic compound - Azole - Thiazole - Azacycle - Organoheterocyclic compound - Enamine - Carbonitrile - Nitrile - Amine - Organic nitrogen compound - Organonitrogen compound - Cyanide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
External Descriptors
Not available