Compound Identification
SMILES
CCOC(=O)C(=N\OS(=O)(=O)C1=CC=C(C)C=C1)\C1=CC2=C(SC3=CC=CC=C3S2)C=C1
InChIKey
InChIKey=OVCACWXDPWOZBU-ZNTNEXAZSA-N
Formula
C23H19NO5S3
Mass
485.59
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzodithiins
-
Subclass
1,4-benzodithiins
- Level 5 Thianthrenes
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Subclass
1,4-benzodithiins
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Class
Benzodithiins
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodithiins
Subclass
1,4-benzodithiins
Intermediate Tree Nodes
Not available
Direct Parent
Thianthrenes
Alternative Parents
p-Methylbenzenesulfonates Diarylthioethers Tosyl compounds Benzenesulfonyl compounds Arylsulfonic acids and derivatives Sulfonyls Carboxylic acid esters Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thianthrene - Diarylthioether - P-methylbenzenesulfonate - Benzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Aryl thioether - Toluene - Monocyclic benzene moiety - Benzenoid - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thianthrenes. These are organic compounds containing a thianthrene moiety. Thianthrene is a tricyclic ring system that consists of two benzene rings fused to each other through a 1,4-dithiin ring.
External Descriptors
Not available