Structure Information
Structure

Compound Identification

SMILES

CC1=CC(C=C2C(=N)N3N=C(CC4=CC=CC=C4)SC3=NC2=O)=C(C)N1C1=C(C)C=CC(=C1)[N+]([O-])=O

InChIKey

InChIKey=KTBYPKQRDXEMAA-UHFFFAOYSA-N

Formula

C26H22N6O3S

Mass

498.56

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrroles

Subclass

Substituted pyrroles

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyrroles

Alternative Parents

Nitrobenzenes Nitrotoluenes Nitroaromatic compounds Pyrimidones Hydropyrimidines Imidolactams Heteroaromatic compounds Thiadiazolines N-acylimines Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Amidines Carboxylic acids and derivatives Organic salts Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic cations

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-phenylpyrrole - Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Pyrimidone - Toluene - Monocyclic benzene moiety - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Thiadiazoline - Organic nitro compound - C-nitro compound - N-acylimine - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Azacycle - Amidine - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.

External Descriptors

Not available

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