Structure Information
Structure

Compound Identification

SMILES

OCNC(=O)OCN1C=CN(C1=S)C1=CC=CC=C1

InChIKey

InChIKey=MLNDVXOHTWCQJD-UHFFFAOYSA-N

Formula

C12H13N3O3S

Mass

279.31

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Imidazoles

Intermediate Tree Nodes

Substituted imidazoles

Direct Parent

Phenylimidazoles

Alternative Parents

N-substituted imidazoles Imidazolethiones Benzene and substituted derivatives Heteroaromatic compounds Carbamate esters Thioureas Azacyclic compounds Alkanolamines Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

1-phenylimidazole - Monocyclic benzene moiety - Imidazole-2-thione - N-substituted imidazole - Benzenoid - Carbamic acid ester - Heteroaromatic compound - Thiourea - Azacycle - Alkanolamine - Carbonyl group - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

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

External Descriptors

Not available

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