Structure Information
Structure

Compound Identification

SMILES

OC1=CC=C(C=C1)C1=C(C(=O)C2=CC=C(C=C2)N=[N+]=[N-])C2=C(S1)C=C(O)C=C2

InChIKey

InChIKey=XBMPLXNNPNMNRV-UHFFFAOYSA-N

Formula

C21H13N3O3S

Mass

387.41

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones - Aryl ketones - Phenylketones

Direct Parent

Aryl-phenylketones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Aryl-phenylketone - 3-aroylthiophene - Benzothiophene - 1-benzothiophene - Benzoyl - Phenylazide - Thiophene carboxylic acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Thiophene - Heteroaromatic compound - Azo imide - Azo compound - Organoheterocyclic compound - Organic salt - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.

External Descriptors

Not available

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