Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C(C=C1)C1=NN=C(SCC(=O)NN=CC=CC2=CC=CC=C2[N+]([O-])=O)N1C1=CC=CC=C1

InChIKey

InChIKey=WXIGUXOBIPZVPR-UHFFFAOYSA-N

Formula

C27H24N6O5S

Mass

544.59

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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 - O-dimethoxybenzene - Dimethoxybenzene - Nitrobenzene - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Anisole - Phenol ether - Styrene - Methoxybenzene - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Azacycle - Thioether - Sulfenyl compound - Organic 1,3-dipolar compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organic salt - Organic zwitterion - Hydrocarbon derivative - 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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