Compound Identification
SMILES
CC(=O)NC1=CC2=C(C=C1)N(CC#C)C(S2)=NC(=O)C1=CC=CC=C1I
InChIKey
InChIKey=DDFOQVCRNBVAHW-UHFFFAOYSA-N
Formula
C19H14IN3O2S
Mass
475.3
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
Benzothiazoles N-acetylarylamines Benzoyl derivatives Iodobenzenes Aryl iodides Acetamides Heteroaromatic compounds Thiazoles Vinylogous halides Secondary carboxylic acid amides Isothioureas Azacyclic compounds Acetylides Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - N-acetylarylamine - 1,3-benzothiazole - Benzoyl - N-arylamide - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Azole - Heteroaromatic compound - Acetamide - Thiazole - Vinylogous halide - Carboxamide group - Isothiourea - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Acetylide - Organoheterocyclic compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic 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