Compound Identification
SMILES
COC(=O)C1=CC=CC=C1SCC1=CC(=C(SC2=CC=C(Cl)C=C2)C=C1)[N+]([O-])=O
InChIKey
InChIKey=NIBHJTRABQCWJP-UHFFFAOYSA-N
Formula
C21H16ClNO4S2
Mass
445.93
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organosulfur compounds
-
Class
Thioethers
-
Subclass
Aryl thioethers
- Level 5 Diarylthioethers
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Subclass
Aryl thioethers
-
Class
Thioethers
-
Superclass
Organosulfur compounds
Kingdom
Organic compounds
Superclass
Organosulfur compounds
Class
Thioethers
Subclass
Aryl thioethers
Intermediate Tree Nodes
Not available
Direct Parent
Diarylthioethers
Alternative Parents
Benzoic acid esters O-sulfanylbenzoic acids and derivatives Nitrobenzenes Thiophenol ethers Benzoyl derivatives Nitroaromatic compounds Alkylarylthioethers Chlorobenzenes Vinylogous thioesters Aryl chlorides Methyl esters Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic salts Organochlorides Organonitrogen compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Diarylthioether - Benzoate ester - O-sulfanylbenzoic acid or derivatives - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Thiophenol ether - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl halide - Monocyclic benzene moiety - Benzenoid - Aryl chloride - Vinylogous thioester - Methyl ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Sulfenyl compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organochloride - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organonitrogen compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
External Descriptors
Not available