Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(C=C1)N1N=C2CSCC2=C1NC(=O)C1=CC=CC=C1I

InChIKey

InChIKey=KPDOEWCFHOZTHH-UHFFFAOYSA-N

Formula

C18H13IN4O3S

Mass

492.29

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Pyrazoles

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyrazoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenylpyrazole - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Nitrobenzene - Benzoic acid or derivatives - Benzamide - Nitroaromatic compound - Benzoyl - Iodobenzene - Halobenzene - Benzenoid - Monocyclic benzene moiety - Aryl iodide - Aryl halide - Heteroaromatic compound - Vinylogous halide - Organic nitro compound - Secondary carboxylic acid amide - C-nitro compound - Carboxamide group - Azacycle - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Thioether - Organic oxoazanium - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.

External Descriptors

Not available

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