Compound Identification
SMILES
CCC(C)(CC)C1=NN=C(NC(=O)C2=C(OC)C=C(C=C2SC)C(F)(F)F)S1
InChIKey
InChIKey=SRRFRKFQNNNWAJ-UHFFFAOYSA-N
Formula
C18H22F3N3O2S2
Mass
433.51
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
Trifluoromethylbenzenes Benzamides Thiophenol ethers Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Alkylarylthioethers Vinylogous thioesters Thiadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Alkyl fluorides Organofluorides Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-sulfanylbenzoic acid or derivatives - Trifluoromethylbenzene - Benzamide - Aryl thioether - Anisole - Benzoyl - Methoxybenzene - Thiophenol ether - Phenol ether - Phenoxy compound - Alkylarylthioether - Alkyl aryl ether - Vinylogous thioester - Thiadiazole - Azole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Sulfenyl compound - Thioether - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - 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