Compound Identification
SMILES
CC(C)C1=CC=C(C=C1)C1=C(SC2=NN=C(N2N1C(C)=O)C(F)(F)F)C(C)=O
InChIKey
InChIKey=HSLHMHGZIZVQOA-UHFFFAOYSA-N
Formula
C18H17F3N4O2S
Mass
410.42
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
Aromatic monoterpenoids Bicyclic monoterpenoids Phenylpropanes Cumenes Aryl thioethers Triazoles Acetamides Heteroaromatic compounds Thioenol ethers Ketones Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - P-cymene - Aromatic monoterpenoid - Bicyclic monoterpenoid - Monoterpenoid - Phenylpropane - Cumene - Aryl thioether - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Acetamide - 1,2,4-triazole - Thioenolether - Ketone - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Alkyl halide - Carbonyl group - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic 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