Compound Identification
SMILES
NC(=O)C1=NSC(=C1)C(=O)\C=C\C1=C(F)C(F)=C(F)C=C1
InChIKey
InChIKey=CCVVGNVQMVRZEX-DUXPYHPUSA-N
Formula
C13H7F3N2O2S
Mass
312.27
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
Thiazolecarboxamides Styrenes Aryl ketones 2-heteroaryl carboxamides Fluorobenzenes Aryl fluorides Heteroaromatic compounds Enones Acryloyl compounds Primary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - 2-heteroaryl carboxamide - Styrene - Thiazolecarboxamide - Aryl ketone - Thiazolecarboxylic acid or derivatives - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Azole - Enone - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Thiazole - Ketone - Carboxamide group - Primary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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