Structure Information
Structure

Compound Identification

SMILES

ClC1=C(Cl)C=C(C=C1)C(=O)NC(=S)NC1=C(C#N)C2=C(CCCC2)C(=S)S1

InChIKey

InChIKey=NSIFUMUIVNVKMZ-UHFFFAOYSA-N

Formula

C18H13Cl2N3OS3

Mass

454.4

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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 heteropolycyclic compounds

Substituents

4-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoyl - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Heteroaromatic compound - Carbodithiolactone - Thiourea - Carboxylic acid derivative - Organoheterocyclic compound - Carbonitrile - Nitrile - Organohalogen compound - Cyanide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic 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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