Structure Information
Structure

Compound Identification

SMILES

[Cl-].COC1=C(C)C(CSSC2=CC=CC(F)=C2)=[N+](C=C1)C1=NC2=C(N1)C=C1C(=C2)C(C)(C)C(=O)C1(C)C

InChIKey

InChIKey=LBDYIMXVFUHFSB-UHFFFAOYSA-M

Formula

C28H29ClFN3O2S2

Mass

558.13

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Indanes

Subclass

Indanones

Intermediate Tree Nodes

Not available

Direct Parent

Indanones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Indanone - Benzimidazole - Alkyl aryl ether - Methylpyridine - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridine - Pyridinium - Azole - Imidazole - Heteroaromatic compound - Organic disulfide - Ketone - Cyclic ketone - Organoheterocyclic compound - Azacycle - Ether - Sulfenyl compound - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as indanones. These are compounds containing an indane ring bearing a ketone group.

External Descriptors

Not available

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