Structure Information
Structure

Compound Identification

SMILES

CNCC1=CC=C(C=C1)C(=N)OC(=N)C1=NC(=CN=C1N)C1=CC=C(C=C1)S(=O)CCCO

InChIKey

InChIKey=VFFWDSBKPKJCKZ-UHFFFAOYSA-N

Formula

C23H26N6O3S

Mass

466.56

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Phenyl sulfoxides

Intermediate Tree Nodes

Not available

Direct Parent

Phenyl sulfoxides

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Phenyl sulfoxide - Benzylamine - Phenylmethylamine - Aminopyrazine - Aralkylamine - Pyrazine - Imidolactam - Heteroaromatic compound - Sulfoxide - Azacycle - Carboximidic acid derivative - Secondary aliphatic amine - Secondary amine - Organoheterocyclic compound - Sulfinyl compound - Primary alcohol - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Primary amine - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Amine - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenyl sulfoxides. These are organosulfur compounds containing a sulfoxide group substituted with a phenyl group.

External Descriptors

Not available

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