Compound Identification
SMILES
COC1=C(C=C2C(=N)N3N=C(SC3=NC2=O)C2=CC=CS2)C=C(Br)C=C1
InChIKey
InChIKey=XNVJYOUKVFSSMJ-UHFFFAOYSA-N
Formula
C17H11BrN4O2S2
Mass
447.33
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenol ethers
- Subclass Anisoles
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Class
Phenol ethers
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Anisoles
Intermediate Tree Nodes
Not available
Direct Parent
Anisoles
Alternative Parents
Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Bromobenzenes Pyrimidones Aryl bromides Hydropyrimidines Imidolactams Thiophenes Heteroaromatic compounds Thiadiazolines N-acylimines Propargyl-type 1,3-dipolar organic compounds Amidines Carboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Halobenzene - Pyrimidone - Bromobenzene - Pyrimidine - Aryl bromide - Aryl halide - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Imidolactam - Monocyclic benzene moiety - Thiadiazoline - Thiophene - Heteroaromatic compound - N-acylimine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Amidine - Ether - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
External Descriptors
Not available