Structure Information
Structure

Compound Identification

SMILES

NC(N)=Nc1nc(CSCCNc2nc(Cl)ccc2[N+]([O-])=O)cs1

InChIKey

InChIKey=NRHKGRJMKHXIQY-UHFFFAOYSA-N

Formula

C12H14ClN7O2S2

Mass

387.86

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic 1,3-dipolar compounds

Class

Allyl-type 1,3-dipolar organic compounds

Subclass

Organic nitro compounds

Intermediate Tree Nodes

C-nitro compounds

Direct Parent

Nitroaromatic compounds

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitroaromatic compound - 2,4-disubstituted 1,3-thiazole - Aminopyridine - 2-halopyridine - Aryl chloride - Aryl halide - Pyridine - Imidolactam - Azole - Heteroaromatic compound - Thiazole - Guanidine - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Thioether - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Dialkylthioether - Organosulfur compound - Organonitrogen compound - Organochloride - Amine - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organopnictogen compound - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.

External Descriptors

Not available

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