Compound Identification
SMILES
CCC1CN=C(N=C1)N(CCC1=CSC(SC(C)(C)C(O)=O)=N1)CC1=CC=C(Br)C=C1
InChIKey
InChIKey=WRGHWJWSHNVNJK-UHFFFAOYSA-N
Formula
C22H27BrN4O2S2
Mass
523.51
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organosulfur compounds
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Class
Thioethers
- Subclass Aryl thioethers
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Class
Thioethers
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Superclass
Organosulfur compounds
Kingdom
Organic compounds
Superclass
Organosulfur compounds
Class
Thioethers
Subclass
Aryl thioethers
Intermediate Tree Nodes
Not available
Direct Parent
Aryl thioethers
Alternative Parents
Benzylamines 2,4-disubstituted thiazoles Alkylarylthioethers Aminopyrimidines and derivatives Bromobenzenes Aryl bromides Hydropyrimidines Heteroaromatic compounds Carboxylic acids Carboximidamides Monocarboxylic acids and derivatives Azacyclic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Organic oxides Organobromides Amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzylamine - Aryl thioether - 2,4-disubstituted 1,3-thiazole - Aminopyrimidine - Bromobenzene - Halobenzene - Alkylarylthioether - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - 5,6-dihydropyrimidine - Benzenoid - Aryl bromide - Azole - Thiazole - Heteroaromatic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Sulfenyl compound - Carboximidamide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonyl group - Amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
External Descriptors
Not available