Compound Identification
SMILES
COC1=CC2=C(NC3=C2N=NC(SCC(O)=O)=N3)C=C1
InChIKey
InChIKey=YYKXJRIDXZJXLZ-UHFFFAOYSA-N
Formula
C12H10N4O3S
Mass
290.3
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Indoles and derivatives
- Subclass Indoles
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Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indoles
Intermediate Tree Nodes
Not available
Direct Parent
Indoles
Alternative Parents
Anisoles Alkylarylthioethers Alkyl aryl ethers 1,2,4-triazines Pyrroles Heteroaromatic compounds Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole - Aryl thioether - Anisole - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Triazine - Benzenoid - 1,2,4-triazine - Pyrrole - Heteroaromatic compound - Thioether - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Sulfenyl compound - Azacycle - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
External Descriptors
Not available