Compound Identification
SMILES
ClC1=CC=C(SC(=O)C=CC2=CC=C(C=C2)C#N)C=C1
InChIKey
InChIKey=ZUQBHDVMUNSGQP-UHFFFAOYSA-N
Formula
C16H10ClNOS
Mass
299.77
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids and derivatives
Alternative Parents
Thiophenol esters Styrenes Benzonitriles Aryl thioethers Chlorobenzenes Aryl chlorides Thioesters Carbothioic S-esters Sulfenyl compounds Nitriles Carboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid or derivatives - Thiophenol ester - Benzonitrile - Aryl thioether - Styrene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carbothioic s-ester - Thiocarboxylic acid ester - Thiocarboxylic acid or derivatives - Sulfenyl compound - Carboxylic acid derivative - Carbonitrile - Nitrile - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organic oxide - Cyanide - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available