Compound Identification
SMILES
CSC1=NC(Br)=C(N1C)C(=O)CC(=O)OC(C)(C)C
InChIKey
InChIKey=IAHTWHWOKIRNLC-UHFFFAOYSA-N
Formula
C12H17BrN2O3S
Mass
349.24
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
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Subclass
Imidazoles
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Level 5
Substituted imidazoles
- Level 6 Tetrasubstituted imidazoles
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Level 5
Substituted imidazoles
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Subclass
Imidazoles
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Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Imidazoles
Intermediate Tree Nodes
Substituted imidazoles - Tetrasubstituted imidazoles
Direct Parent
1,2,4,5-tetrasubstituted imidazoles
Alternative Parents
Aryl alkyl ketones Imidazolyl carboxylic acids and derivatives Alkylarylthioethers Fatty acid esters Carbonylimidazoles Beta-keto acids and derivatives 1,3-dicarbonyl compounds Aryl bromides N-substituted imidazoles Vinylogous halides Heteroaromatic compounds Carboxylic acid esters Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1,2,4,5-tetrasubstituted imidazole - Aryl thioether - Imidazolyl carboxylic acid derivative - Aryl ketone - Aryl alkyl ketone - Beta-keto acid - Imidazole-4-carbonyl group - Fatty acid ester - Alkylarylthioether - Aryl bromide - Aryl halide - Keto acid - N-substituted imidazole - 1,3-dicarbonyl compound - Fatty acyl - Vinylogous halide - Heteroaromatic compound - Carboxylic acid ester - Ketone - Thioether - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organopnictogen compound - Organobromide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 1,2,4,5-tetrasubstituted imidazoles. These are imidazoles in which the imidazole ring is substituted at for positions 1,2,4, and 5.
External Descriptors
Not available