Structure Information
Structure

Compound Identification

SMILES

CC1=CC(=CC=C1)N1C=CC=C1C=NNC(=O)C1=CC2=C(S1)C=CC(=C2)[N+]([O-])=O

InChIKey

InChIKey=HVTBEAGXXNQZJQ-UHFFFAOYSA-N

Formula

C21H16N4O3S

Mass

404.44

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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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-phenylpyrrole - 1-benzothiophene - Benzothiophene - Nitroaromatic compound - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Toluene - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiophene - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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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