Compound Identification
SMILES
CCSC1=NN=C(C)N1NC(=S)NC(=O)C1=CC=CC=C1Br
InChIKey
InChIKey=RQECMCOIEAHNOV-UHFFFAOYSA-N
Formula
C13H14BrN5OS2
Mass
400.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
2-halobenzoic acids and derivatives
Alternative Parents
Benzoyl derivatives Bromobenzenes Alkylarylthioethers Aryl bromides Vinylogous halides Triazoles Heteroaromatic compounds Sulfenyl compounds Carboxylic acids and derivatives Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Aryl thioether - Benzoyl - Bromobenzene - Halobenzene - Alkylarylthioether - Aryl bromide - Aryl halide - Azole - Heteroaromatic compound - Vinylogous halide - 1,2,4-triazole - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Thioether - Sulfenyl compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available