Structure Information
Structure

Compound Identification

SMILES

CC[NH+](CC)C1=CC([O-])=C(C=NNC(=O)CSC2=NN=C(N2C2=CC=CC=C2)C2=CC=C(Cl)C=C2)C=C1

InChIKey

InChIKey=YVAUIFFZCRFENO-UHFFFAOYSA-N

Formula

C27H27ClN6O2S

Mass

535.06

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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 - Aniline or substituted anilines - Phenylalkylamine - Chlorobenzene - Halobenzene - Phenoxide - Alkylarylthioether - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl chloride - Heteroaromatic compound - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Organic nitrogen compound - Carbonyl group - Organic zwitterion - Organic oxide - Organic salt - Organic oxygen 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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