Compound Identification
SMILES
BrC1=CC=C(OCCOC(=O)C2=CC=CC=C2SC2=CC=CC=C2C#N)C=C1
InChIKey
InChIKey=ZCAFDEXRAICZEK-UHFFFAOYSA-N
Formula
C22H16BrNO3S
Mass
454.34
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 Benzonitriles Benzoyl derivatives Thiophenol ethers Phenol ethers Phenoxy compounds Bromobenzenes Alkyl aryl ethers Vinylogous thioesters Aryl bromides Carboxylic acid esters Nitriles Sulfenyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Diarylthioether - Benzoate ester - O-sulfanylbenzoic acid or derivatives - Benzoic acid or derivatives - Phenoxy compound - Benzonitrile - Benzoyl - Thiophenol ether - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - Carboxylic acid ester - Carbonitrile - Sulfenyl compound - Ether - Carboxylic acid derivative - Nitrile - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - 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