Compound Identification
SMILES
BrC1=CC=C(C=C1)C(=O)NCCC(=O)NC1=CC=C(C=C1)C1=CN2C=CSC2=N1
InChIKey
InChIKey=HIDBYXPFZCAWEB-UHFFFAOYSA-N
Formula
C21H17BrN4O2S
Mass
469.36
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 Phenylimidazoles
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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
Direct Parent
Phenylimidazoles
Alternative Parents
Beta amino acids and derivatives 4-halobenzoic acids and derivatives Anilides Benzamides Benzoyl derivatives N-arylamides Bromobenzenes Aryl bromides N-substituted imidazoles Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - 5-phenylimidazole - 4-phenylimidazole - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Anilide - Benzoyl - N-arylamide - Bromobenzene - Halobenzene - Benzenoid - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Aryl bromide - Heteroaromatic compound - Thiazole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
External Descriptors
Not available