Compound Identification
SMILES
O=C(SCCCCSC1=CC=CC=N1)C1=CC=CC=C1
InChIKey
InChIKey=IYAHTZZBHOLBCQ-UHFFFAOYSA-N
Formula
C16H17NOS2
Mass
303.44
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
Not available
Direct Parent
Benzoic acids and derivatives
Alternative Parents
Thiobenzoic acids and derivatives Benzoyl derivatives Alkylarylthioethers Pyridines and derivatives Heteroaromatic compounds Thioesters Carbothioic S-esters Sulfenyl compounds Carboxylic acids and derivatives Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid or derivatives - Thiobenzoic acid or derivatives - Aryl thioether - Benzoyl - Alkylarylthioether - Pyridine - Heteroaromatic compound - Thiocarboxylic acid ester - Carbothioic s-ester - Carboxylic acid derivative - Thiocarboxylic acid or derivatives - Thioether - Azacycle - Sulfenyl compound - Organoheterocyclic compound - Organic oxide - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
External Descriptors
Not available