Compound Identification
SMILES
CCOC(=O)C1=C(CN(C)CC2=CC=C(Br)C=C2)C(C#N)=C(N)S1
InChIKey
InChIKey=FDQWOLNORSNHDW-UHFFFAOYSA-N
Formula
C17H18BrN3O2S
Mass
408.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Thiophenes
-
Subclass
Aminothiophenes
- Level 5 2-aminothiophenes
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Subclass
Aminothiophenes
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Class
Thiophenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thiophenes
Subclass
Aminothiophenes
Intermediate Tree Nodes
2-aminothiophenes
Direct Parent
3,4,5-trisubstituted-2-aminothiophenes
Alternative Parents
Benzylamines Thiophene carboxylic acids and derivatives Phenylmethylamines Aralkylamines Bromobenzenes Aryl bromides Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Trialkylamines Nitriles Organobromides Organic oxides Hydrocarbon derivatives Organooxygen compounds Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3,4,5-trisubstituted-2-aminothiophene - Benzylamine - Phenylmethylamine - Thiophene carboxylic acid or derivatives - Bromobenzene - Halobenzene - Aralkylamine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Carbonitrile - Nitrile - Primary amine - Organohalogen compound - Cyanide - Organobromide - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3,4,5-trisubstituted-2-aminothiophenes. These are organic compounds containing a thiophene ring substituted at the 2-,3-,4-, and 5-position, with an amine group at the 2-position.
External Descriptors
Not available