Compound Identification
SMILES
COC(=O)C1=C(C)C(C#N)=C(S1)N=NC1=NC(N)=CC(N)=C1
InChIKey
InChIKey=TUOIRCJWDXWYKF-UHFFFAOYSA-N
Formula
C13H12N6O2S
Mass
316.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Thiophenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thiophenes
Subclass
Thiophene carboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Thiophene carboxylic acids and derivatives
Alternative Parents
Aminopyridines and derivatives Imidolactams Methyl esters Heteroaromatic compounds Azo compounds Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Nitriles Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Thiophene carboxylic acid or derivatives - Aminopyridine - Pyridine - Imidolactam - Methyl ester - Heteroaromatic compound - Amino acid or derivatives - Azo compound - Carboxylic acid ester - Propargyl-type 1,3-dipolar organic compound - Nitrile - Carbonitrile - Carboxylic acid derivative - Organic 1,3-dipolar compound - Azacycle - Organic oxide - Cyanide - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as thiophene carboxylic acids and derivatives. These are compounds containing a thiophene ring which bears a carboxylic acid group (or a salt/ester thereof).
External Descriptors
Not available