Compound Identification
SMILES
OC(=O)C1=CC=C(SC2=CC=C(NC3=NCCN3)C=C2)C=C1
InChIKey
InChIKey=CGEBRDJCQDVYMW-UHFFFAOYSA-N
Formula
C16H15N3O2S
Mass
313.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organosulfur compounds
-
Class
Thioethers
-
Subclass
Aryl thioethers
- Level 5 Diarylthioethers
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Subclass
Aryl thioethers
-
Class
Thioethers
-
Superclass
Organosulfur compounds
Kingdom
Organic compounds
Superclass
Organosulfur compounds
Class
Thioethers
Subclass
Aryl thioethers
Intermediate Tree Nodes
Not available
Direct Parent
Diarylthioethers
Alternative Parents
P-sulfanylbenzoic acids Benzoic acids Thiophenol ethers Aniline and substituted anilines Benzoyl derivatives Imidazolyl carboxylic acids and derivatives Imidazolines Guanidines Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboximidamides Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Diarylthioether - P-sulfanylbenzoic acid or derivatives - P-sulfanylbenzoic acid - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Imidazolyl carboxylic acid derivative - Aniline or substituted anilines - Thiophenol ether - Monocyclic benzene moiety - Benzenoid - 2-imidazoline - Guanidine - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Sulfenyl compound - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
External Descriptors
Not available