Structure Information
Structure

Compound Identification

SMILES

IC1=CC=CC=C1C(=O)OC1=C(N=CC=C1)C(=O)NC1=NC=CS1

InChIKey

InChIKey=SPHRAVWTCSZJDM-UHFFFAOYSA-N

Formula

C16H10IN3O3S

Mass

451.24

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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

Not available

Direct Parent

Benzoic acid esters

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzoate ester - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Benzoyl - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Pyridine - Azole - Heteroaromatic compound - Vinylogous halide - Thiazole - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organoiodide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.

External Descriptors

Not available

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