Compound Identification
SMILES
CC1=C(CCN2C=C(NC(=O)C3=CC=CC=C3SC(F)F)C=N2)SC=N1
InChIKey
InChIKey=WZNYHAPMFBIYME-UHFFFAOYSA-N
Formula
C17H16F2N4OS2
Mass
394.46
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
Benzamides Thiophenol ethers Benzoyl derivatives 4,5-disubstituted thiazoles Alkylarylthioethers Vinylogous thioesters Pyrazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Alkyl fluorides Organooxygen compounds Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-sulfanylbenzoic acid or derivatives - Benzamide - Aryl thioether - Benzoyl - Thiophenol ether - 4,5-disubstituted 1,3-thiazole - Alkylarylthioether - Vinylogous thioester - Azole - Heteroaromatic compound - Pyrazole - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Thioether - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Azacycle - Alkyl fluoride - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Organosulfur 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