Compound Identification
SMILES
FC1=CC=C(OCC2=NOC(COC(=O)C3=CC=CC=C3SCC3=CC=C(C=C3)C#N)=N2)C=C1
InChIKey
InChIKey=NHNWASDDNIMHKO-UHFFFAOYSA-N
Formula
C25H18FN3O4S
Mass
475.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Sulfanylbenzoic acids and derivatives
Direct Parent
O-sulfanylbenzoic acids and derivatives
Alternative Parents
Benzoic acid esters Thiophenol ethers Phenoxy compounds Phenol ethers Benzonitriles Benzoyl derivatives Alkyl aryl ethers Alkylarylthioethers Fluorobenzenes Vinylogous thioesters Aryl fluorides 1,2,4-oxadiazoles Heteroaromatic compounds Carboxylic acid esters Nitriles Azacyclic compounds Oxacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-sulfanylbenzoic acid or derivatives - Benzoate ester - Phenol ether - Thiophenol ether - Benzoyl - Benzonitrile - Phenoxy compound - Aryl thioether - Fluorobenzene - Alkylarylthioether - Alkyl aryl ether - Halobenzene - Vinylogous thioester - Aryl halide - Aryl fluoride - 1,2,4-oxadiazole - Oxadiazole - Heteroaromatic compound - Azole - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Sulfenyl compound - Ether - Thioether - Carbonitrile - Nitrile - Organic oxide - Cyanide - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-sulfanylbenzoic acids and derivatives. These are benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 2, respectively.
External Descriptors
Not available