Structure Information
Structure

Compound Identification

SMILES

FC1=CC=CC=C1C(=O)NCCC1=NN=C(SCC(=O)NC2=NC=CS2)N1CC=C

InChIKey

InChIKey=SNIRJMILFDWLBK-UHFFFAOYSA-N

Formula

C19H19FN6O2S2

Mass

446.52

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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

2-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

2-halobenzoic acid or derivatives - Benzamide - Aryl thioether - Benzoyl - N-arylamide - Fluorobenzene - Alkylarylthioether - Halobenzene - Aryl fluoride - Aryl halide - Azole - Heteroaromatic compound - Vinylogous halide - 1,2,4-triazole - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Sulfenyl compound - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.

External Descriptors

Not available

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