Structure Information
Structure

Compound Identification

SMILES

CC(C)NC(=O)[C@H](C)SC1=NN=C([C@@H](C)[NH+]2CCCCC2)N1C1=CC=C(F)C=C1

InChIKey

InChIKey=KIAKERUDPVPIRV-CVEARBPZSA-O

Formula

C21H31FN5OS

Mass

420.57

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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 - Aryl thioether - Fluorobenzene - Halobenzene - Aralkylamine - Alkylarylthioether - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Piperidine - Benzenoid - Heteroaromatic compound - Quaternary ammonium salt - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Thioether - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Organosulfur compound - Organic nitrogen compound - Organofluoride - Organohalogen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - 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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