Structure Information
Structure

Compound Identification

SMILES

[Na+].[O-]C(=O)CCSC(CCC1=CC=CC=C1C1=NC=NN1)C1=CC(OCC2=NC3=C(C=CC(Cl)=C3)C=C2)=CC=C1

InChIKey

InChIKey=JVFJMSYVXAYOAZ-UHFFFAOYSA-M

Formula

C30H26ClN4NaO3S

Mass

581.06

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Linear 1,3-diarylpropanoids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Linear 1,3-diarylpropanoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Linear 1,3-diarylpropanoid - Haloquinoline - Phenyltriazole - Chloroquinoline - Phenyl-1,2,4-triazole - Quinoline - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Azole - Heteroaromatic compound - Triazole - 1,2,4-triazole - Carboxylic acid salt - Dialkylthioether - Organic alkali metal salt - Sulfenyl compound - Organic metal halide - Organoheterocyclic compound - Thioether - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic sodium salt - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Organic salt - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together.

External Descriptors

Not available

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