Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C1=NN([C@@H]2CC(=O)[C@@H]3OC[C@H]2O3)C(=S)N1C1=CC=CC=C1

InChIKey

InChIKey=CCQGEQHRADNQBZ-YVWKXTFCSA-N

Formula

C21H19N3O4S

Mass

409.46

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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 - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Oxepane - Monocyclic benzene moiety - Oxane - Benzenoid - Meta-dioxolane - Heteroaromatic compound - Ketone - Acetal - Ether - Oxacycle - Azacycle - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aldehyde - 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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