Compound Identification
SMILES
CN1N=C(C)C(N(C(=O)C2=CC3=C(C=C2)C(=O)C2=CC=CC=C2S3(=O)=O)S(C)(=O)=O)=C1C
InChIKey
InChIKey=CFNMLLFZEOCGEL-UHFFFAOYSA-N
Formula
C21H19N3O6S2
Mass
473.52
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzothiopyrans
-
Subclass
1-benzothiopyrans
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Level 5
Thioxanthenes
- Level 6 Thioxanthones
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Level 5
Thioxanthenes
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Subclass
1-benzothiopyrans
-
Class
Benzothiopyrans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiopyrans
Subclass
1-benzothiopyrans
Intermediate Tree Nodes
Thioxanthenes
Direct Parent
Thioxanthones
Alternative Parents
Aryl ketones Benzenoids Sulfones Pyrazoles Organosulfonic acids and derivatives Heteroaromatic compounds Aminosulfonyl compounds Carboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thioxanthone - Aryl ketone - Benzenoid - Azole - Pyrazole - Sulfone - Heteroaromatic compound - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Ketone - Carboxylic acid derivative - Azacycle - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thioxanthones. These are compounds containing a thioxanthene moiety which bears an ketone group.
External Descriptors
Not available