Structure Information
Structure

Compound Identification

SMILES

CC1=C(NC(=O)CSC2=NNC(=O)N2CCC2=CC=CC=C2)C(=CC=C1)[N+]([O-])=O

InChIKey

InChIKey=APMQUSMYBTZMAY-UHFFFAOYSA-N

Formula

C19H19N5O4S

Mass

413.45

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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

Nitrotoluene - Anilide - Nitrobenzene - Aryl thioether - Nitroaromatic compound - N-arylamide - Toluene - Alkylarylthioether - Azole - Heteroaromatic compound - 1,2,4-triazole - Carboxamide group - Secondary carboxylic acid amide - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Thioether - Carboxylic acid derivative - Organic nitrogen compound - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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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