Structure Information
Structure

Compound Identification

SMILES

COC1=CC(C=NNC(=O)CSC2=NN=C(CNC3=C(C)C=C(I)C=C3)N2C2=CC=CC=C2)=CC(OC)=C1OC

InChIKey

InChIKey=NJBXXGKZLRILCC-UHFFFAOYSA-N

Formula

C28H29IN6O4S

Mass

672.54

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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 - Phenol ether - Aniline or substituted anilines - Phenylalkylamine - Aminotoluene - Methoxybenzene - Anisole - Aryl thioether - Phenoxy compound - Halobenzene - Toluene - Iodobenzene - Secondary aliphatic/aromatic amine - Aralkylamine - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Aryl iodide - Aryl halide - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Ether - Sulfenyl compound - Thioether - Secondary amine - Organopnictogen compound - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organoiodide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - 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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