Structure Information
Structure

Compound Identification

SMILES

CC[C@@H](CNC(=O)[C@@H](C)SC1=NNC(=N1)C1=CC=CC=C1F)C1=CC=CC=C1

InChIKey

InChIKey=RNRQALLGYZTTJT-CABCVRRESA-N

Formula

C21H23FN4OS

Mass

398.5

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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 - Phenylpropane - Aryl thioether - Fluorobenzene - Halobenzene - Alkylarylthioether - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl fluoride - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Thioether - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - 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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