Compound Identification
SMILES
CC1=CC(NC2=NC(=O)\C(S2)=C/C2=CC(Br)=C(O)C=C2)=CC=C1
InChIKey
InChIKey=MVTMDQUYMNZDMW-OQLLNIDSSA-N
Formula
C17H13BrN2O2S
Mass
389.27
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
-
Subclass
Halophenols
-
Level 5
Bromophenols
- Level 6 O-bromophenols
-
Level 5
Bromophenols
-
Subclass
Halophenols
-
Class
Phenols
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Halophenols
Intermediate Tree Nodes
Bromophenols
Direct Parent
O-bromophenols
Alternative Parents
Aniline and substituted anilines Toluenes 1-hydroxy-2-unsubstituted benzenoids Bromobenzenes Aryl bromides Thiazolines N-acylimines Isothioureas Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Amines Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aniline or substituted anilines - 2-bromophenol - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Halobenzene - Toluene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Meta-thiazoline - Isothiourea - N-acylimine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-bromophenols. These are bromophenols carrying a iodine at the C2 position of the benzene ring.
External Descriptors
Not available