Structure Information
Structure

Compound Identification

SMILES

OC(=O)CCSC(CCC1=CC=CC=C1C1=NC=NN1)C1=CC(OCC2=NC3=C(C=CC(Cl)=C3)C=C2)=CC=C1

InChIKey

InChIKey=NAVMHFVFGUAGPV-UHFFFAOYSA-N

Formula

C30H27ClN4O3S

Mass

559.08

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