Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCCCCCSC1=NC(=O)N2C=C(C(=O)OCC)C(=C2N1)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=VXFRVPBLOFRHLS-UHFFFAOYSA-N

Formula

C27H36ClN3O3S

Mass

518.11

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrroles

Subclass

Substituted pyrroles

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyrroles

Alternative Parents

Pyrrolotriazines Alkyl-2-thio-S-triazines Pyrrole carboxylic acids and derivatives Triazinones Alkylarylthioethers Chlorobenzenes Aryl chlorides Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Sulfenyl compounds Azacyclic compounds Organic oxides Organochlorides Organonitrogen compounds Organooxygen compounds Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3-phenylpyrrole - Pyrrolotriazine - Pyrrole-3-carboxylic acid or derivatives - Alkyl-2-thio-s-triazine - Aryl thioether - Triazinone - Halobenzene - Chlorobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,3,5-triazine - Benzenoid - Triazine - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Sulfenyl compound - Thioether - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.

External Descriptors

Not available

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