Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC(CS(=O)C2=NC3=C(C=CC(=C3)[N+]([O-])=O)N2S(=O)(=O)C2=CC=CC=C2)=C1

InChIKey

InChIKey=ZXWBDPRRPXJZBE-UHFFFAOYSA-N

Formula

C21H17N3O6S2

Mass

471.5

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzimidazoles

Subclass

Sulfinylbenzimidazoles

Intermediate Tree Nodes

Not available

Direct Parent

Sulfinylbenzimidazoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Sulfinylbenzimidazole - Benzenesulfonamide - Benzyl sulfoxide - Benzenesulfonyl group - Nitroaromatic compound - Anisole - Methoxybenzene - Phenol ether - Phenoxy compound - Alkyl aryl ether - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Azole - Heteroaromatic compound - Sulfonyl - Imidazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organic nitro compound - C-nitro compound - Sulfoxide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Sulfinyl compound - Azacycle - Ether - Organic oxoazanium - Organosulfur compound - Organic oxygen compound - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as sulfinylbenzimidazoles. These are polycyclic aromatic compounds containing a sulfinyl group attached at the position 2 of a benzimidazole moiety.

External Descriptors

Not available

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