Compound Identification
SMILES
O=C(C=C(N1N=NC2=CC=CC=C12)C1=CC=CC=C1)C1=CC=CS1
InChIKey
InChIKey=XJIJTRJSSMZQKO-UHFFFAOYSA-N
Formula
C19H13N3OS
Mass
331.39
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
Benzotriazoles Styrenes Aryl ketones Vinylogous amides Triazoles Thiophenes Heteroaromatic compounds Enones Acryloyl compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Benzotriazole - Styrene - Aryl ketone - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Azole - Enone - Thiophene - Triazole - 1,2,3-triazole - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Vinylogous amide - Ketone - Azacycle - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organonitrogen 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