Structure Information
Structure

Compound Identification

SMILES

OC(=O)[C@H]1[C@H](CN2N=C3CCCCCN3C2=O)CC[C@@H]1SC1=CC=C(C=C1)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=XJZZRJAENCZOAK-APTRMMRNSA-N

Formula

C26H28ClN3O3S

Mass

498.04

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Biphenyls and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Chlorinated biphenyls

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Chlorinated biphenyl - Aryl thioether - Thiophenol ether - Azepine - Chlorobenzene - Alkylarylthioether - Halobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - 1,2,4-triazole - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Monocarboxylic acid or derivatives - Thioether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as chlorinated biphenyls. These are organic compounds containing at least one chlorine atom attached to either benzene ring of the biphenyl moiety.

External Descriptors

Not available

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