Structure Information
Structure

Compound Identification

SMILES

CCN1N=C(SC2=CC(Cl)=CC=C2)C2=C1N=CN=C2N

InChIKey

InChIKey=IPTNTAZJMUDUBT-UHFFFAOYSA-N

Formula

C13H12ClN5S

Mass

305.78

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organosulfur compounds

Class

Thioethers

Subclass

Aryl thioethers

Intermediate Tree Nodes

Not available

Direct Parent

Diarylthioethers

Alternative Parents

Pyrazolo[3,4-d]pyrimidines Thiophenol ethers Chlorobenzenes Aminopyrimidines and derivatives Imidolactams Aryl chlorides Pyrazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Primary amines Organochlorides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Diarylthioether - Pyrazolo[3,4-d]pyrimidine - Pyrazolopyrimidine - Thiophenol ether - Aminopyrimidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Pyrazole - Heteroaromatic compound - Azole - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.

External Descriptors

Not available

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