Structure Information
Structure

Compound Identification

SMILES

Cl.Cl.Cl.C(CNC1=CC=C(C=C1)C1=NNC2=C1SC1=CC=CC=C21)CN1C=CN=C1

InChIKey

InChIKey=JTTWLJNPQLHLHR-UHFFFAOYSA-N

Formula

C21H22Cl3N5S

Mass

482.85

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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

1-benzothiophenes Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines N-substituted imidazoles Thiophenes Heteroaromatic compounds Azacyclic compounds Hydrochlorides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenylpyrazole - 1-benzothiophene - Benzothiophene - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Imidazole - Heteroaromatic compound - Thiophene - Azacycle - Secondary amine - Organonitrogen compound - Amine - Hydrocarbon derivative - Hydrochloride - Organic nitrogen 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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