Compound Identification
SMILES
O=C(N1CCN(CC2=NC(=NO2)C2=CSC=C2)CC1)C1=CC=CC=C1SCC1=CSC=N1
InChIKey
InChIKey=ABGOCHBGXVPMTL-UHFFFAOYSA-N
Formula
C22H21N5O2S3
Mass
483.62
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 Aralkylamines N-alkylpiperazines Vinylogous thioesters 1,2,4-oxadiazoles Thiophenes Thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Azacyclic compounds Sulfenyl compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-sulfanylbenzoic acid or derivatives - Benzamide - Aryl thioether - Benzoyl - Thiophenol ether - N-alkylpiperazine - Alkylarylthioether - Aralkylamine - 1,4-diazinane - Piperazine - Vinylogous thioester - 1,2,4-oxadiazole - Heteroaromatic compound - Azole - Oxadiazole - Tertiary carboxylic acid amide - Thiophene - Thiazole - Carboxamide group - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Oxacycle - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Amine - 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