Structure Information
Structure

Compound Identification

SMILES

CC1=NC(SC(C[C@H](N)CO)C2=NOC=C2)=C(C=C1)C#N

InChIKey

InChIKey=BENYGFIAYNBWCV-AMGKYWFPSA-N

Formula

C14H16N4O2S

Mass

304.37

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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 Methylpyridines Aralkylamines Alkylarylthioethers Isoxazoles Heteroaromatic compounds 1,2-aminoalcohols Sulfenyl compounds Oxacyclic compounds Nitriles Azacyclic compounds Primary alcohols Monoalkylamines Hydrocarbon derivatives

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Aryl thioether - 3-pyridinecarbonitrile - Methylpyridine - Alkylarylthioether - Aralkylamine - Pyridine - Azole - Isoxazole - Heteroaromatic compound - 1,2-aminoalcohol - Carbonitrile - Nitrile - Sulfenyl compound - Oxacycle - Organoheterocyclic compound - Azacycle - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Organic nitrogen compound - Primary aliphatic amine - Primary amine - Hydrocarbon derivative - Amine - Organic oxygen compound - 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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