Structure Information
Structure

Compound Identification

SMILES

CN1C(=S)NC(=O)C(=CC2=C(C)N(C(C)=C2)C2=CC(=C(Cl)C=C2)[N+]([O-])=O)C1=O

InChIKey

InChIKey=UAKTUICKUDCXHI-UHFFFAOYSA-N

Formula

C18H15ClN4O4S

Mass

418.85

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrroles

Subclass

Substituted pyrroles

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyrroles

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

1-phenylpyrrole - Nitrobenzene - Thiobarbiturate - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aryl halide - Monocyclic benzene moiety - 1,3-diazinane - Aryl chloride - Benzenoid - Heteroaromatic compound - Organic nitro compound - Thiourea - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Carbonyl group - Organochloride - Organohalogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - Organic oxygen compound - Organic oxide - Organic salt - Organic zwitterion - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.

External Descriptors

Not available

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