Compound Identification
SMILES
CC1=NC(CS(=O)(=O)C2=CC=C(Br)C=C2)=C(N1CCO)[N+]([O-])=O
InChIKey
InChIKey=JJHRVXDWKJALLM-UHFFFAOYSA-N
Formula
C13H14BrN3O5S
Mass
404.24
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
Benzenesulfonyl compounds Nitroaromatic compounds Nitroimidazoles Bromobenzenes N-substituted imidazoles Aryl bromides Heteroaromatic compounds Sulfones Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Alkanolamines Azacyclic compounds Organic zwitterions Organic salts Organic oxides Primary alcohols Hydrocarbon derivatives Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1,2,4,5-tetrasubstituted imidazole - Benzenesulfonyl group - Nitroaromatic compound - Nitroimidazole - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Heteroaromatic compound - Sulfone - Sulfonyl - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Alkanolamine - Azacycle - Organic 1,3-dipolar compound - Organic oxoazanium - Organic zwitterion - Organobromide - Organohalogen compound - Organonitrogen compound - Alcohol - Organic salt - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Primary alcohol - 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