Compound Identification
SMILES
CC(C)C1=CC=C2C(CCC\C=N\NC(=S)NC3=CC=C(Cl)C=C3)=CC(C(O)=O)=C2C=C1
InChIKey
InChIKey=RNGFXWFDRCPTKO-MZJWZYIUSA-N
Formula
C25H26ClN3O2S
Mass
468.01
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Hydrocarbons
-
Class
Unsaturated hydrocarbons
-
Subclass
Olefins
-
Level 5
Cyclic olefins
- Level 6 Azulenes
-
Level 5
Cyclic olefins
-
Subclass
Olefins
-
Class
Unsaturated hydrocarbons
-
Superclass
Hydrocarbons
Kingdom
Organic compounds
Superclass
Hydrocarbons
Class
Unsaturated hydrocarbons
Subclass
Olefins
Intermediate Tree Nodes
Cyclic olefins
Direct Parent
Azulenes
Alternative Parents
Chlorobenzenes Thiosemicarbazones Aryl chlorides Monocarboxylic acids and derivatives Carboxylic acids Organosulfur compounds Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Azulene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Thiosemicarbazone - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organohalogen compound - Organic oxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as azulenes. These are polycyclic aromatic compounds containing the azulene skeleton, which consists of the cyclopentadiene ring fused to a cycloheptadiene ring.
External Descriptors
Not available