Compound Identification
SMILES
CSC1=CC=CC=C1C(=O)NC1=C(Br)C2=C(C=C1)N=C(C)O2
InChIKey
InChIKey=YUJHPJGQDUWXST-UHFFFAOYSA-N
Formula
C16H13BrN2O2S
Mass
377.26
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 Benzoxazoles Thiophenol ethers Benzoyl derivatives Alkylarylthioethers Vinylogous thioesters Aryl bromides Oxazoles Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Sulfenyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organooxygen compounds Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
O-sulfanylbenzoic acid or derivatives - Benzamide - Benzoxazole - Aryl thioether - Benzoyl - Thiophenol ether - Alkylarylthioether - Aryl bromide - Aryl halide - Vinylogous thioester - Azole - Heteroaromatic compound - Oxazole - Secondary carboxylic acid amide - Carboxamide group - Thioether - Organoheterocyclic compound - Sulfenyl compound - Azacycle - Carboxylic acid derivative - Oxacycle - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic 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