Compound Identification
SMILES
COC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC1=NC(C)=NC(N=[N+]=[N-])=N1
InChIKey
InChIKey=MLXMAFMOMAXHBE-UHFFFAOYSA-N
Formula
C13H12N8O5S
Mass
392.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic nitrogen compounds
-
Class
Organonitrogen compounds
-
Subclass
Sulfonylureas
- Level 5 S-triazinyl-2-sulfonylureas
-
Subclass
Sulfonylureas
-
Class
Organonitrogen compounds
-
Superclass
Organic nitrogen compounds
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Sulfonylureas
Intermediate Tree Nodes
Not available
Direct Parent
S-triazinyl-2-sulfonylureas
Alternative Parents
Benzenesulfonamides Benzoic acid esters Benzenesulfonyl compounds Benzoyl derivatives Aminotriazines 1,3,5-triazines Organosulfonic acids and derivatives Aminosulfonyl compounds Methyl esters Heteroaromatic compounds Azo imides Azo compounds Azacyclic compounds Organic oxides Organic salts Organic zwitterions Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
S-triazinyl-2-sulfonylurea - Benzenesulfonamide - Benzoate ester - Benzenesulfonyl group - Benzoic acid or derivatives - Benzoyl - Amino-1,3,5-triazine - Monocyclic benzene moiety - Triazine - Benzenoid - 1,3,5-triazine - Methyl ester - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Azo imide - Azo compound - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic zwitterion - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic salt - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as s-triazinyl-2-sulfonylureas. These are aromatic heterocyclic compounds containing a s-triazine ring which is substituted with a urea at the ring 2-position.
External Descriptors
Not available