Structure Information
Structure

Compound Identification

SMILES

Cn1nc(c(Cc2c(O)n(CC=C)c(=S)[nH]c2=O)c1Cl)-c1ccc(cc1)[N+]([O-])=O

InChIKey

InChIKey=WCDFCXCFDUBXSY-UHFFFAOYSA-N

Formula

C18H16ClN5O4S

Mass

433.87

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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 - Nitrobenzene - Nitroaromatic compound - Pyrimidone - 2-thiopyrimidine - Pyrimidinethione - Thiopyrimidine - Hydroxypyrimidine - Aryl chloride - Aryl halide - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Hydropyrimidine - Vinylogous acid - Vinylogous amide - Heteroaromatic compound - Thiourea - C-nitro compound - Organic nitro compound - Lactam - Azacycle - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organochloride - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Organic salt - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - 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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