Structure Information
Structure

Compound Identification

SMILES

CC1=C(C#N)C(=C(S1)C1=NC(NC2=CC(O)=CC=C2)=NC=C1C)C1=CN=CC=C1

InChIKey

InChIKey=NTPMVQQVLWTIJG-UHFFFAOYSA-N

Formula

C22H17N5OS

Mass

399.47

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Aniline and substituted anilines

Intermediate Tree Nodes

Not available

Direct Parent

Aniline and substituted anilines

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Aminophenol - M-aminophenol - Aniline or substituted anilines - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aminopyrimidine - Phenol - Pyrimidine - Pyridine - Heteroaromatic compound - Thiophene - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Secondary amine - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.

External Descriptors

Not available

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