Compound Identification
SMILES
CSC1=CC(C(=O)OCN2N=NC3=CC=CC=C3C2=O)=C(Cl)C=C1
InChIKey
InChIKey=WUCTZCUFAQHDOE-UHFFFAOYSA-N
Formula
C16H12ClN3O3S
Mass
361.8
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Sulfanylbenzoic acids and derivatives
Direct Parent
M-sulfanylbenzoic acids and derivatives
Alternative Parents
2-halobenzoic acids and derivatives Benzo-1,2,3-triazines Benzoic acid esters Thiophenol ethers Benzoyl derivatives Triazinones Alkylarylthioethers Chlorobenzenes 1,2,3-triazines Aryl chlorides Vinylogous halides Heteroaromatic compounds Carboxylic acid esters Lactams Azacyclic compounds Sulfenyl compounds Organic oxides Organochlorides Organonitrogen compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Benzo-1,2,3-triazine - M-sulfanylbenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Aryl thioether - Benzoyl - Thiophenol ether - Chlorobenzene - Halobenzene - Triazinone - Alkylarylthioether - Aryl chloride - Aryl halide - Triazine - 1,2,3-triazine - Vinylogous halide - Heteroaromatic compound - Carboxylic acid ester - Lactam - Azacycle - Sulfenyl compound - Thioether - Organoheterocyclic compound - Carboxylic acid derivative - Organosulfur compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as m-sulfanylbenzoic acids and derivatives. These are benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 3, respectively.
External Descriptors
Not available