Structure Information
Structure

Compound Identification

SMILES

IC1=CC=C(C=C1)C(=O)NC1=NN=C(NCCNC2=CC=CC=C2)S1

InChIKey

InChIKey=JDAYHRLOTNPJFE-UHFFFAOYSA-N

Formula

C17H16IN5OS

Mass

465.31

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Halobenzoic acids and derivatives

Direct Parent

4-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Aniline or substituted anilines - Phenylalkylamine - Halobenzene - 2-amino-5-substituted-1,3,4-thiadiazole - Iodobenzene - Secondary aliphatic/aromatic amine - 2-amino-1,3,4-thiadiazole - Aryl halide - Aryl iodide - Heteroaromatic compound - Azole - Thiadiazole - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Secondary amine - Organopnictogen compound - Organohalogen compound - Organoiodide - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.

External Descriptors

Not available

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