Compound Identification
SMILES
NC[C@H]1CN(C(=O)O1)C1=CC(F)=C(C=C1)C(=O)NNC(N)=S
InChIKey
InChIKey=NJRNGQMGAZMDDJ-ZETCQYMHSA-N
Formula
C12H14FN5O3S
Mass
327.33
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 Fluorobenzenes Oxazolidinones Aryl fluorides Vinylogous halides Thiosemicarbazides Carbamate esters Carboxylic acid hydrazides Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Monoalkylamines Organic oxides Organofluorides Organosulfur compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Oxazolidinone - Vinylogous halide - Carbamic acid ester - Thiosemicarbazide - Oxazolidine - Amino acid or derivatives - Carboxylic acid hydrazide - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - 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