Structure Information
Structure

Compound Identification

SMILES

COC1=NC=C(C#N)C(S[C@@H](C[C@@H](N)CO)C2=CC=CC=C2)=C1

InChIKey

InChIKey=JAMDDXJMTFGUTN-CABCVRRESA-N

Formula

C17H19N3O2S

Mass

329.42

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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

Aryl thioethers

Alternative Parents

3-pyridinecarbonitriles Aralkylamines Alkylarylthioethers Alkyl aryl ethers Benzene and substituted derivatives Heteroaromatic compounds 1,2-aminoalcohols Sulfenyl compounds Nitriles Azacyclic compounds Primary alcohols Monoalkylamines Hydrocarbon derivatives

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Aryl thioether - 3-pyridinecarbonitrile - Alkyl aryl ether - Aralkylamine - Alkylarylthioether - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - 1,2-aminoalcohol - Ether - Carbonitrile - Nitrile - Sulfenyl compound - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Alcohol - Primary aliphatic amine - Organic nitrogen compound - Primary alcohol - Primary amine - Hydrocarbon derivative - Amine - Cyanide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.

External Descriptors

Not available

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