Compound Identification
SMILES
CCOC1=CC2=C(C=C1)N=C(SC1=CC=C(O1)C=NNC(=O)C1=CC(Br)=CC=C1)S2
InChIKey
InChIKey=FFJCOBWOXCUEOC-UHFFFAOYSA-N
Formula
C21H16BrN3O3S2
Mass
502.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organosulfur compounds
-
Class
Thioethers
-
Subclass
Aryl thioethers
- Level 5 Diarylthioethers
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Subclass
Aryl thioethers
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Class
Thioethers
-
Superclass
Organosulfur compounds
Kingdom
Organic compounds
Superclass
Organosulfur compounds
Class
Thioethers
Subclass
Aryl thioethers
Intermediate Tree Nodes
Not available
Direct Parent
Diarylthioethers
Alternative Parents
3-halobenzoic acids and derivatives Benzothiazoles Benzoyl derivatives Alkyl aryl ethers Bromobenzenes Aryl bromides Thiazoles Furans Heteroaromatic compounds Sulfenyl compounds Carboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Organobromides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Diarylthioether - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 1,3-benzothiazole - Benzoic acid or derivatives - Benzoyl - Halobenzene - Bromobenzene - Alkyl aryl ether - Monocyclic benzene moiety - Aryl halide - Benzenoid - Aryl bromide - Azole - Thiazole - Furan - Heteroaromatic compound - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Ether - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
External Descriptors
Not available