Compound Identification
SMILES
CN1C=CN=C1SC1=C(C=C(C=C(C#N)C(=O)NC2=C(C)C(Cl)=CC=C2)C=C1)[N+]([O-])=O
InChIKey
InChIKey=WUVFSMANNFRYGT-UHFFFAOYSA-N
Formula
C21H16ClN5O3S
Mass
453.9
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
- Subclass Cinnamic acid amides
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Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Cinnamic acid amides
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acid amides
Alternative Parents
Diarylthioethers Anilides Nitrobenzenes Thiophenol ethers N-arylamides Nitroaromatic compounds Chlorobenzenes Toluenes Aryl chlorides N-substituted imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Nitriles Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic salts Organic zwitterions Carbonyl compounds Organochlorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid amide - Diarylthioether - Nitrobenzene - Anilide - Aryl thioether - Nitroaromatic compound - Thiophenol ether - N-arylamide - Toluene - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - C-nitro compound - Secondary carboxylic acid amide - Carboxamide group - Organic nitro compound - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carbonitrile - Nitrile - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Sulfenyl compound - Thioether - Carbonyl group - Organic oxide - Cyanide - Hydrocarbon derivative - Organic zwitterion - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic salt - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acid amides. These are amides of cinnamic acids. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available