Compound Identification
SMILES
[O-][N+](=O)C1=C(SC2=CC=CC=N2)C=CC(=C1)C(=O)C=CC1=CC(Cl)=C(Cl)C=C1
InChIKey
InChIKey=KSBYPNSCAAKEAS-UHFFFAOYSA-N
Formula
C20H12Cl2N2O3S
Mass
431.29
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Linear 1,3-diarylpropanoids
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Subclass
Chalcones and dihydrochalcones
- Level 5 Retrochalcones
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Subclass
Chalcones and dihydrochalcones
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Class
Linear 1,3-diarylpropanoids
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Linear 1,3-diarylpropanoids
Subclass
Chalcones and dihydrochalcones
Intermediate Tree Nodes
Not available
Direct Parent
Retrochalcones
Alternative Parents
Diarylthioethers Nitrobenzenes Aryl ketones Benzoyl derivatives Thiophenol ethers Dichlorobenzenes Nitroaromatic compounds Styrenes Aryl chlorides Pyridines and derivatives Acryloyl compounds Heteroaromatic compounds Enones Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Retrochalcone - Diarylthioether - Nitrobenzene - Thiophenol ether - Aryl thioether - Nitroaromatic compound - Styrene - Benzoyl - 1,2-dichlorobenzene - Aryl ketone - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Benzenoid - Pyridine - Monocyclic benzene moiety - Acryloyl-group - Heteroaromatic compound - Enone - Alpha,beta-unsaturated ketone - Organic nitro compound - Ketone - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thioether - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organosulfur compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic zwitterion - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors
Not available