Structure Information
Structure

Compound Identification

SMILES

OC(=O)\C=C/C(O)=O.CN1CCN(CC1)C1=NC2=CC=CC=C2SC2=NC=CN12

InChIKey

InChIKey=VVNCUDFIJWCVHI-BTJKTKAUSA-N

Formula

C19H21N5O4S

Mass

415.47

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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

Diarylthioethers

Alternative Parents

N-methylpiperazines Unsaturated fatty acids N-substituted imidazoles Dicarboxylic acids and derivatives Benzenoids Heteroaromatic compounds Trialkylamines Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Not available

Substituents

Diarylthioether - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Dicarboxylic acid or derivatives - N-substituted imidazole - Piperazine - Unsaturated fatty acid - Benzenoid - Fatty acid - Fatty acyl - Heteroaromatic compound - Imidazole - Azole - Tertiary amine - Tertiary aliphatic amine - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid - Carboxylic acid derivative - Amine - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

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

External Descriptors

Not available

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