Compound Identification
SMILES
OC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C1=CC=CC=C1I
InChIKey
InChIKey=BYWXXUIGQGBIMV-UHFFFAOYSA-N
Formula
C15H12IN3O3S
Mass
441.24
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 1-hydroxy-2-unsubstituted benzenoids Aryl iodides Vinylogous halides Thiosemicarbazides Carboxylic acid hydrazides Organosulfur compounds Organopnictogen compounds Organooxygen compounds Organoiodides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Iodobenzene - Phenol - Aryl halide - Aryl iodide - Vinylogous halide - Thiosemicarbazide - Carboxylic acid hydrazide - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Aromatic homomonocyclic 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