Structure Information
Structure

Compound Identification

SMILES

CC1=CC(NCC2=NC(SCC(=O)NC3=CC=C(C=C3)[N+]([O-])=O)=NN2)=CC=C1

InChIKey

InChIKey=OKIPUCLABUCSPD-UHFFFAOYSA-N

Formula

C18H18N6O3S

Mass

398.44

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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 - Anilide - Aryl thioether - Nitroaromatic compound - N-arylamide - Aniline or substituted anilines - Phenylalkylamine - Aminotoluene - Alkylarylthioether - Toluene - Aralkylamine - Secondary aliphatic/aromatic amine - 1,2,4-triazole - Azole - Heteroaromatic compound - Carboxamide group - C-nitro compound - Amino acid or derivatives - Secondary carboxylic acid amide - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Thioether - Azacycle - Secondary amine - Carboxylic acid derivative - Organic oxoazanium - Amine - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - 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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