Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C(CCNC(=O)CSC2=NC3=CC=CC=C3C3=NC(=NN23)C2=CC(=CC=C2)[N+]([O-])=O)C=C1

InChIKey

InChIKey=DKACJTXPAYZTMY-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 heteropolycyclic compounds

Substituents

Phenyl-1,2,4-triazole - Quinazoline - Dimethoxybenzene - O-dimethoxybenzene - Nitrobenzene - Triazolopyrimidine - Anisole - Phenol ether - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Methoxybenzene - Alkylarylthioether - Alkyl aryl ether - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Ether - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Thioether - Sulfenyl compound - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic zwitterion - Carbonyl group - Organic salt - Organic oxygen compound - Aromatic heteropolycyclic 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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