Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(C)N=C2SC(=CC3=CC=C(C)C=C3)C(=O)N2C1C1=C(C)N(C)N=C1

InChIKey

InChIKey=ADRRJOYDIVEHIO-UHFFFAOYSA-N

Formula

C22H22N4O3S

Mass

422.5

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Toluenes

Intermediate Tree Nodes

Not available

Direct Parent

Toluenes

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Toluene - Azole - Pyrazole - Thiazole - Heteroaromatic compound - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Isothiourea - Lactam - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group.

External Descriptors

Not available

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