Structure Information
Structure

Compound Identification

SMILES

OC(=O)\C=C\C(O)=O.COC1=NC=C(C#N)C(S[C@H](CCNCCO)C2=CC=NO2)=C1

InChIKey

InChIKey=GKHHIKOFVXVYBX-CSCOWPIISA-N

Formula

C19H22N4O7S

Mass

450.47

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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 Alkyl aryl ethers Alkylarylthioethers Aralkylamines Unsaturated fatty acids Dicarboxylic acids and derivatives Isoxazoles Heteroaromatic compounds 1,2-aminoalcohols Dialkylamines Carboxylic acids Azacyclic compounds Oxacyclic compounds Sulfenyl compounds Nitriles Hydrocarbon derivatives Carbonyl compounds Primary alcohols Organic oxides

Molecular Framework

Not available

Substituents

Aryl thioether - 3-pyridinecarbonitrile - Alkyl aryl ether - Alkylarylthioether - Aralkylamine - Dicarboxylic acid or derivatives - Pyridine - Unsaturated fatty acid - Fatty acid - Fatty acyl - Heteroaromatic compound - Azole - Isoxazole - 1,2-aminoalcohol - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Ether - Organoheterocyclic compound - Carbonitrile - Nitrile - Secondary amine - Alkanolamine - Sulfenyl compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Primary alcohol - Alcohol - Amine - Organic oxide - Cyanide - Organic oxygen compound - 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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