Compound Identification
SMILES
IC1=CC=CC=C1C(=O)N1C(=S)S\C(=C/C2=CC=NC=C2)C1=O
InChIKey
InChIKey=UFBMLJICMSQRCN-LCYFTJDESA-N
Formula
C16H9IN2O2S2
Mass
452.28
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- 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
Halobenzoic acids and derivatives
Direct Parent
2-halobenzoic acids and derivatives
Alternative Parents
Benzoyl derivatives Iodobenzenes Aryl iodides Thiazolidinethiones Pyridines and derivatives N-substituted carboxylic acid imides Vinylogous halides Cyclic dithiocarbamic acid esters Dicarboximides Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Organoiodides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzoyl - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Carboxylic acid imide, n-substituted - Pyridine - Thiazolidinethione - Cyclic dithiocarbamic acid ester - Carboxylic acid imide - Dicarboximide - Heteroaromatic compound - Thiazolidine - Dithiocarbamic acid ester - Vinylogous halide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available