Structure Information
Structure

Compound Identification

SMILES

COC1=C(C=C(C)C=C1)N1C(SCC2=CC(=CC=C2)[N+]([O-])=O)=NN=C1C1=CC=CS1

InChIKey

InChIKey=HGLNRKONQBMTJO-UHFFFAOYSA-N

Formula

C21H18N4O3S2

Mass

438.52

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Triazoles

Intermediate Tree Nodes

Phenyltriazoles

Direct Parent

Phenyl-1,2,4-triazoles

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Phenyl-1,2,4-triazole - Methoxyaniline - Nitrobenzene - Phenol ether - Phenoxy compound - Methoxybenzene - Aryl thioether - Anisole - Nitroaromatic compound - Toluene - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Thiophene - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Ether - Azacycle - Organic oxoazanium - Thioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic salt - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group.

External Descriptors

Not available

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