Structure Information
Structure

Compound Identification

SMILES

CC1=C[N+](=CC=C1)C(=C(S)NC1=CC=CC=C1)C(=O)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=ANAAKCUQVOTASL-UHFFFAOYSA-O

Formula

C21H18N3O3S

Mass

392.45

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Nitrobenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzenes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitrobenzene - Benzoyl - Aryl ketone - Nitroaromatic compound - Methylpyridine - Pyridine - Pyridinium - Alpha-branched alpha,beta-unsaturated-ketone - Acryloyl-group - Enone - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Vinylogous amide - Organic nitro compound - Ketone - C-nitro compound - Organoheterocyclic compound - Azacycle - Alkylthiol - Organic oxoazanium - Organonitrogen compound - Organic salt - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.

External Descriptors

Not available

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