Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=C(N=CN=C1NC1=CC=C(C=C1)N1C=NC=N1)N1CCC(CC1)SC1=CC=CC=N1

InChIKey

InChIKey=XPABZYFJCKZPIF-UHFFFAOYSA-N

Formula

C22H21N9O2S

Mass

475.53

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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 - Nitroaromatic compound - Dialkylarylamine - Aniline or substituted anilines - Aminopyrimidine - Alkylarylthioether - Monocyclic benzene moiety - Piperidine - Pyridine - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Tertiary amine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thioether - Secondary amine - Organic oxoazanium - Organic oxide - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organic salt - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic zwitterion - 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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