Compound Identification
SMILES
ClC1=CC=C(CC2=C(NC(=S)NC2=O)C=NNC(=O)C2=CC=NC=C2)C=C1
InChIKey
InChIKey=UMGQCEOLXHHHQS-UHFFFAOYSA-N
Formula
C18H14ClN5O2S
Mass
399.85
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Pyridinecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyridinecarboxylic acids and derivatives
Alternative Parents
2-Thiopyrimidines Pyrimidones Pyrimidinethiones Chlorobenzenes Aryl chlorides Hydropyrimidines Vinylogous amides Heteroaromatic compounds Thioureas Lactams Carboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organochlorides Organonitrogen compounds Organic oxides Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyridine carboxylic acid or derivatives - Chlorobenzene - 2-thiopyrimidine - Halobenzene - Thiopyrimidine - Pyrimidinethione - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactam - Thiourea - Carboxylic acid derivative - Azacycle - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyridinecarboxylic acids and derivatives. These are compounds containing a pyridine ring bearing a carboxylic acid group or a derivative thereof.
External Descriptors
Not available