Structure Information
Structure

Compound Identification

SMILES

NC[C@H]1CN(C(=O)O1)C1=CC(F)=C(C=C1)C(=O)NNC(N)=S

InChIKey

InChIKey=NJRNGQMGAZMDDJ-ZETCQYMHSA-N

Formula

C12H14FN5O3S

Mass

327.33

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Halobenzoic acids and derivatives

Direct Parent

2-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

2-halobenzoic acid or derivatives - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Oxazolidinone - Vinylogous halide - Carbamic acid ester - Thiosemicarbazide - Oxazolidine - Amino acid or derivatives - Carboxylic acid hydrazide - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.

External Descriptors

Not available

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