Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CC(=CNNC(=O)CSC2=NNC(C3=CC(=CC=C3)[N+]([O-])=O)=[N+]2C)C1=O)[N+]([O-])=O

InChIKey

InChIKey=AHJLRMZFBSHATI-UHFFFAOYSA-O

Formula

C19H18N7O7S

Mass

488.45

Export to:

JSON SDF CSV

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 - Nitrobenzene - O-quinomethane - Quinomethane - Aryl thioether - Nitroaromatic compound - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Heteroaromatic compound - Organic nitro compound - Carboxylic acid hydrazide - Cyclic ketone - Ketone - C-nitro compound - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Organic oxoazanium - Organic salt - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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

Previous Back Next