Compound Identification
SMILES
COC1=CC=CC=C1C=CC(=O)NC1=NN=C(SCC2=CC=C(Cl)C=C2)S1
InChIKey
InChIKey=FZHBLHTYQKZSEP-UHFFFAOYSA-N
Formula
C19H16ClN3O2S2
Mass
417.93
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
-
Subclass
Hydroxycinnamic acids and derivatives
- Level 5 Coumaric acids and derivatives
-
Subclass
Hydroxycinnamic acids and derivatives
-
Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Hydroxycinnamic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Coumaric acids and derivatives
Alternative Parents
Cinnamic acid amides Styrenes Phenoxy compounds N-arylamides Methoxybenzenes Anisoles Alkyl aryl ethers Alkylarylthioethers Chlorobenzenes Aryl chlorides Thiadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid amide - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Styrene - N-arylamide - Methoxybenzene - Halobenzene - Alkyl aryl ether - Chlorobenzene - Alkylarylthioether - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Thiadiazole - Heteroaromatic compound - Azole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Thioether - Ether - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
External Descriptors
Not available