Compound Identification
SMILES
CC1=CC(C=C2SC(NC3=CC(Cl)=CC=C3)=NC2=O)=CC(C)=C1O
InChIKey
InChIKey=PXPJBIXHTANGLK-UHFFFAOYSA-N
Formula
C18H15ClN2O2S
Mass
358.84
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
-
Subclass
Cresols
- Level 5 Ortho cresols
-
Subclass
Cresols
-
Class
Phenols
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Cresols
Intermediate Tree Nodes
Not available
Direct Parent
Ortho cresols
Alternative Parents
m-Xylenes Aniline and substituted anilines Chlorobenzenes Aryl chlorides Thiazolines N-acylimines Isothioureas Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-cresol - Aniline or substituted anilines - Xylene - M-xylene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Meta-thiazoline - N-acylimine - Isothiourea - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxide - Organohalogen compound - Organochloride - Amine - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as ortho cresols. These are organic compounds containing an ortho-cresol moiety, which consists of a benzene bearing one hydroxyl group at ring positions 1 and 2, respectively.
External Descriptors
Not available