Structure Information
Structure

Compound Identification

SMILES

CSC1=C(C=C(S1)C(N)=N)S(=O)(=O)C1=CC(Br)=C2N=CN(CC3=C(F)C(=CC=C3)[N+]([O-])=O)C2=C1

InChIKey

InChIKey=GBQCPCYAIVPRFX-UHFFFAOYSA-N

Formula

C20H15BrFN5O4S3

Mass

584.45

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzimidazoles

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzimidazoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzimidazole - Nitrobenzene - Aryl thioether - Nitroaromatic compound - 2,3,5-trisubstituted thiophene - Fluorobenzene - Halobenzene - Alkylarylthioether - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Sulfone - Sulfonyl - Thiophene - C-nitro compound - Organic nitro compound - Thioether - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Amidine - Carboxylic acid amidine - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organohalogen compound - Organobromide - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organosulfur compound - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).

External Descriptors

Not available

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