Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(NCC(=O)N2N=C(C=C2C2=CC=CC=C2)C2=CC=C(S2)[N+]([O-])=O)C=C1

InChIKey

InChIKey=YXOURLSOBVMKNU-UHFFFAOYSA-N

Formula

C22H18N4O3S

Mass

418.47

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Pyrazoles

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyrazoles

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Phenylpyrazole - Alpha-amino acid or derivatives - Nitrothiophene - 2-nitrothiophene - Aniline or substituted anilines - Phenylalkylamine - Aminotoluene - Nitroaromatic compound - Secondary aliphatic/aromatic amine - Toluene - 2,5-disubstituted thiophene - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - Organic nitro compound - C-nitro compound - Organic oxoazanium - Azacycle - Secondary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic salt - Organic oxygen compound - Organic oxide - Organic zwitterion - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.

External Descriptors

Not available

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