Structure Information
Structure

Compound Identification

SMILES

CN1N(C(=O)C(C(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+]([O-])=O)=C1C)C1=CC=CC=C1

InChIKey

InChIKey=ZMLCCAFPWXODOB-UHFFFAOYSA-N

Formula

C20H17N5O4S

Mass

423.45

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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

Benzimidazoles Aryl alkyl ketones Nitroaromatic compounds Alkylarylthioethers Benzene and substituted derivatives Pyrazolones Imidazoles Heteroaromatic compounds Vinylogous amides Lactams Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Sulfenyl compounds Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenylpyrazole - Benzimidazole - Aryl thioether - Nitroaromatic compound - Aryl ketone - Aryl alkyl ketone - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Pyrazolinone - Imidazole - Heteroaromatic compound - Vinylogous amide - Ketone - C-nitro compound - Organic nitro compound - Lactam - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Thioether - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Aromatic heteropolycyclic 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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