Structure Information
Structure

Compound Identification

SMILES

CC1=CC(CSC2=NN=C(C(CC3=CC=CC=C3)NC(=O)C3=C(Cl)C=C(Cl)C=C3)N2C2=CC=C(C=C2)[N+]([O-])=O)=CC=C1

InChIKey

InChIKey=NDNUPCQSMWHQJH-UHFFFAOYSA-N

Formula

C31H25Cl2N5O3S

Mass

618.53

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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 - Amphetamine or derivatives - 2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Benzoyl - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Toluene - Alkylarylthioether - Aryl halide - Monocyclic benzene moiety - Benzenoid - Aryl chloride - Heteroaromatic compound - Vinylogous halide - C-nitro compound - Carboxamide group - Secondary carboxylic acid amide - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organic 1,3-dipolar compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Azacycle - Thioether - Carboxylic acid derivative - Organic zwitterion - Organic nitrogen compound - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic salt - 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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