Compound Identification
SMILES
CC1=NC(=NC=C1)C(S)C1=CC=C(C=C1)C(O)=O
InChIKey
InChIKey=YMOOCAYTDGLYTB-UHFFFAOYSA-N
Formula
C13H12N2O2S
Mass
260.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acids
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Subclass
Benzoic acids and derivatives
-
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 acids
Alternative Parents
Benzoyl derivatives Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Carboxylic acids Azacyclic compounds Alkylthiols Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid - Benzoyl - Pyrimidine - Heteroaromatic compound - Alkylthiol - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organosulfur compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
External Descriptors
Not available