Compound Identification
SMILES
IC1=CC=C(C=C1)C(=O)NC1=NN=C(NCCNC2=CC=CC=C2)S1
InChIKey
InChIKey=JDAYHRLOTNPJFE-UHFFFAOYSA-N
Formula
C17H16IN5OS
Mass
465.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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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
4-halobenzoic acids and derivatives
Alternative Parents
Benzamides Phenylalkylamines Aniline and substituted anilines Benzoyl derivatives Secondary alkylarylamines 2-amino-5-substituted-1,3,4-thiadiazoles Iodobenzenes Aryl iodides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organoiodides Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Aniline or substituted anilines - Phenylalkylamine - Halobenzene - 2-amino-5-substituted-1,3,4-thiadiazole - Iodobenzene - Secondary aliphatic/aromatic amine - 2-amino-1,3,4-thiadiazole - Aryl halide - Aryl iodide - Heteroaromatic compound - Azole - Thiadiazole - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Secondary amine - Organopnictogen compound - Organohalogen compound - Organoiodide - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available