Compound Identification
SMILES
COC1=CC(OC)=NC(SC2=CC=CC(=C2C(O)=O)C(F)(F)F)=N1
InChIKey
InChIKey=AOBDKCMCPUXSBO-UHFFFAOYSA-N
Formula
C14H11F3N2O4S
Mass
360.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Benzoic acids
- Level 6 2-pyrimidinylthiobenzoic acids
-
Level 5
Benzoic acids
-
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
Benzoic acids
Direct Parent
2-pyrimidinylthiobenzoic acids
Alternative Parents
Diarylthioethers Trifluoromethylbenzenes O-sulfanylbenzoic acids Thiophenol ethers Benzoyl derivatives Alkyl aryl ethers Vinylogous thioesters Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organonitrogen compounds Alkyl fluorides Organofluorides Hydrocarbon derivatives Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-pyrimidinylthiobenzoic acid - Diarylthioether - O-sulfanylbenzoic acid - Trifluoromethylbenzene - O-sulfanylbenzoic acid or derivatives - Aryl thioether - Benzoyl - Thiophenol ether - Alkyl aryl ether - Pyrimidine - Vinylogous thioester - Heteroaromatic compound - Organoheterocyclic compound - Sulfenyl compound - Azacycle - Thioether - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-pyrimidinylthiobenzoic acids. These are benzoic acids that carry a 2-thiopyrimidine at the 2-position of the benzene ring.
External Descriptors
Not available