Compound Identification
SMILES
COC1=C(Cl)C=C(C=C1Cl)C(=O)NC(=S)NN1C(C)=NN=C1SC
InChIKey
InChIKey=NPSLOFNIOWHQGE-UHFFFAOYSA-N
Formula
C13H13Cl2N5O2S2
Mass
406.3
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
3-halobenzoic acids and derivatives
Alternative Parents
Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Dichlorobenzenes Alkyl aryl ethers Alkylarylthioethers Aryl chlorides Triazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Carboxylic acids and derivatives Organic oxides Organonitrogen compounds Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Anisole - Phenoxy compound - Aryl thioether - Benzoyl - 1,3-dichlorobenzene - Phenol ether - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Heteroaromatic compound - 1,2,4-triazole - Azole - Azacycle - Organoheterocyclic compound - Thioether - Sulfenyl compound - Carboxylic acid derivative - Ether - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organosulfur compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available