Structure Information
Structure

Compound Identification

SMILES

CC(C)N1C(SCCCNC(=O)C2=CC(=C(Cl)C=C2)[N+]([O-])=O)=NC(=C1C1=CC=CC=C1)C1=CC=CC=C1

InChIKey

InChIKey=DSAHTHUKAWNENT-UHFFFAOYSA-N

Formula

C28H27ClN4O3S

Mass

535.06

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Imidazoles

Intermediate Tree Nodes

Substituted imidazoles

Direct Parent

Phenylimidazoles

Alternative Parents

4-halobenzoic acids and derivatives 1,2,4,5-tetrasubstituted imidazoles Benzamides Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Alkylarylthioethers Chlorobenzenes Aryl chlorides N-substituted imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Organic oxoazanium compounds Organic zwitterions Organochlorides Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organooxygen compounds

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

5-phenylimidazole - 4-phenylimidazole - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 1,2,4,5-tetrasubstituted imidazole - Benzamide - Benzoic acid or derivatives - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Benzoyl - Chlorobenzene - Halobenzene - Alkylarylthioether - Benzenoid - N-substituted imidazole - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Heteroaromatic compound - C-nitro compound - Carboxamide group - Secondary carboxylic acid amide - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Thioether - Organic oxoazanium - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organic 1,3-dipolar compound - Organic zwitterion - Organic nitrogen compound - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic salt - Aromatic heteromonocyclic 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

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