Compound Identification
SMILES
CN1C=CN=C1SC1=C(C=C(C=CC(=O)C2=CC=C(C=C2)[N+]([O-])=O)C=C1)[N+]([O-])=O
InChIKey
InChIKey=ZTOHSRIOOQOENW-UHFFFAOYSA-N
Formula
C19H14N4O5S
Mass
410.4
Taxonomic Classification
Taxonomy Tree
-
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
Cinnamic acids and derivatives Diarylthioethers Nitrobenzenes Aryl ketones Benzoyl derivatives Thiophenol ethers Nitroaromatic compounds Styrenes N-substituted imidazoles Acryloyl compounds Heteroaromatic compounds Enones Azacyclic compounds Sulfenyl compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Diarylthioether - Nitrobenzene - Thiophenol ether - Styrene - Aryl thioether - Aryl ketone - Nitroaromatic compound - Benzoyl - N-substituted imidazole - Benzenoid - Monocyclic benzene moiety - Acryloyl-group - Alpha,beta-unsaturated ketone - Imidazole - Enone - Azole - Heteroaromatic compound - Organic nitro compound - Ketone - C-nitro compound - Thioether - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic zwitterion - Organic salt - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur 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