Compound Identification
SMILES
CSC1=CC=CC=C1C(=O)NCC1=NOC(C)=N1
InChIKey
InChIKey=IDLRZZFHPCWPRW-UHFFFAOYSA-N
Formula
C12H13N3O2S
Mass
263.32
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
O-sulfanylbenzoic acids and derivatives
Alternative Parents
Benzamides Thiophenol ethers Benzoyl derivatives Alkylarylthioethers Vinylogous thioesters 1,2,4-oxadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Sulfenyl compounds Organic oxides Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-sulfanylbenzoic acid or derivatives - Benzamide - Benzoyl - Aryl thioether - Thiophenol ether - Alkylarylthioether - Vinylogous thioester - 1,2,4-oxadiazole - Oxadiazole - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Sulfenyl compound - Azacycle - Thioether - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-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 2, respectively.
External Descriptors
Not available