Compound Identification
SMILES
[I-].COC1=C(OC)C=C(C=C1)[C@@H]1[C@@H]2CCC3=CC=CC=C3C2=N\[N+]1=C(/N)SC
InChIKey
InChIKey=OMHQBJAJCWASDS-KYSFMIDTSA-N
Formula
C21H24IN3O2S
Mass
509.41
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Tetralins
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Tetralins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Tetralins
Alternative Parents
Dimethoxybenzenes Phenoxy compounds Anisoles S-alkylisothiosemicarbazones Alkyl aryl ethers Thiosemicarbazones Pyrazolines Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organic iodide salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
O-dimethoxybenzene - Dimethoxybenzene - Tetralin - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - S-alkylisothiosemicarbazone - Isothiosemicarbazone - Monocyclic benzene moiety - Thiosemicarbazone - Pyrazoline - Ether - Azacycle - Organoheterocyclic compound - Carboximidamide - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic iodide salt - Organic oxygen compound - Organosulfur compound - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
External Descriptors
Not available