Structure Information
Structure

Compound Identification

SMILES

CCN(CC)CCN1N=C2C3=C1C=CC(NCCN)=C3S(=O)(=O)C1=CC=CC=C21

InChIKey

InChIKey=PQNDLIIMIXMLOM-UHFFFAOYSA-N

Formula

C21H27N5O2S

Mass

413.54

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzopyrazoles

Subclass

Indazoles

Intermediate Tree Nodes

Not available

Direct Parent

Indazoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzopyrazole - Indazole - 1-benzothiopyran - Benzothiopyran - Secondary aliphatic/aromatic amine - Benzenoid - Azole - Pyrazole - Sulfone - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Secondary amine - Azacycle - Amine - Organic oxide - Primary amine - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.

External Descriptors

Not available

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