Structure Information
Structure

Compound Identification

SMILES

CC(=O)C(C#N)C(=O)NC1CCN(CC2=CC3=C(SC4=NC=CN=C4N3)C=C2)CC1

InChIKey

InChIKey=AJFIFQBAZZGTJQ-UHFFFAOYSA-N

Formula

C21H22N6O2S

Mass

422.51

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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

Benzothiazines Aralkylamines Pyrazines Piperidines 1,3-dicarbonyl compounds 1,4-thiazines N-acyl amines Imidolactams Benzenoids Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Ketones Nitriles Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Diarylthioether - Benzothiazine - Aralkylamine - Para-thiazine - Fatty amide - N-acyl-amine - Piperidine - Pyrazine - 1,3-dicarbonyl compound - Benzenoid - Imidolactam - Fatty acyl - Heteroaromatic compound - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Ketone - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Nitrile - Carbonitrile - Cyanide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organopnictogen compound - Amine - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - 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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