Compound Identification
SMILES
COC(=O)C1=CC=C(C=C1)S(=O)(=O)NC=NCCSCC1=CSC(N=C(N)N)=N1
InChIKey
InChIKey=TVNKAUCEZUEHKK-UHFFFAOYSA-N
Formula
C16H20N6O4S3
Mass
456.55
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Benzenesulfonamides Benzenesulfonyl compounds Benzoyl derivatives 2,4-disubstituted thiazoles Aminosulfonyl compounds Organosulfonic acids and derivatives Methyl esters Heteroaromatic compounds Guanidines Formamidines Dialkylthioethers Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonamide - Benzoate ester - Benzenesulfonyl group - Benzoyl - 2,4-disubstituted 1,3-thiazole - Azole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Thiazole - Aminosulfonyl compound - Methyl ester - Carboxylic acid ester - Guanidine - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Formamidine - Carboxylic acid derivative - Amidine - Azacycle - Organoheterocyclic compound - Dialkylthioether - Thioether - Organic 1,3-dipolar compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available