Compound Identification
SMILES
COC1=CC=C(C=C1)C1=NN(C(=O)C=CC2=CC=C(Cl)C=C2)C(NCC2=CC=CS2)=N1
InChIKey
InChIKey=WNHSXRPMVPTEAS-UHFFFAOYSA-N
Formula
C23H19ClN4O2S
Mass
450.94
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
Phenyl-1,2,4-triazoles Styrenes Phenoxy compounds Methoxybenzenes Anisoles Chlorobenzenes Alkyl aryl ethers Aryl chlorides Thiophenes Heteroaromatic compounds Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Phenyltriazole - Phenyl-1,2,4-triazole - Anisole - Phenoxy compound - Phenol ether - Styrene - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - 1,2,4-triazole - Triazole - Thiophene - Azole - Organoheterocyclic compound - Azacycle - Ether - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteromonocyclic 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