Structure Information
Structure

Compound Identification

SMILES

ClC1=CC=C(SC2=CN(N=C2C2=NC=C(C=C2)C#N)C2=CC=CC=C2)C=C1

InChIKey

InChIKey=VQIJCKMSKHMRJT-UHFFFAOYSA-N

Formula

C21H13ClN4S

Mass

388.87

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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

Diarylthioethers Thiophenol ethers 3-pyridinecarbonitriles Chlorobenzenes Aryl chlorides Heteroaromatic compounds Sulfenyl compounds Nitriles Azacyclic compounds Organochlorides Hydrocarbon derivatives

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Phenylpyrazole - Diarylthioether - Aryl thioether - Thiophenol ether - 3-pyridinecarbonitrile - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Nitrile - Carbonitrile - Thioether - Sulfenyl compound - Azacycle - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Cyanide - Organic nitrogen compound - Aromatic heteromonocyclic 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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