Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(\C=[NH+]\C2NC3=CC=CC=C3N2C([S-])=NC2=CC=CC=C2)C=C1

InChIKey

InChIKey=YFJUAWOXFMRANS-HYARGMPZSA-N

Formula

C21H17N5O2S

Mass

403.46

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzimidazoles

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzimidazoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzimidazole - Nitrobenzene - Nitroaromatic compound - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Isothiourea - C-nitro compound - Organic nitro compound - Ortho amide - Orthocarboxylic acid derivative - Shiff base - Tertiary amine - Aldimine - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Primary aldimine - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Amine - Organosulfur compound - Organic salt - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).

External Descriptors

Not available

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