Compound Identification
SMILES
COC1=C(C=CC(SC)=C1)C(=O)N1N=NC2=CC=CC=C12
InChIKey
InChIKey=KNBMSSLWODJJEI-UHFFFAOYSA-N
Formula
C15H13N3O2S
Mass
299.35
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
P-sulfanylbenzoic acids and derivatives
Alternative Parents
Benzotriazoles Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Thiophenol ethers Alkyl aryl ethers Alkylarylthioethers Heteroaromatic compounds Triazoles Azacyclic compounds Sulfenyl compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-sulfanylbenzoic acid or derivatives - Benzotriazole - Phenoxy compound - Aryl thioether - Anisole - Benzoyl - Phenol ether - Thiophenol ether - Methoxybenzene - Alkyl aryl ether - Alkylarylthioether - Azole - Heteroaromatic compound - Triazole - 1,2,3-triazole - Thioether - Ether - Azacycle - Sulfenyl compound - Organoheterocyclic compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as p-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 4, respectively.
External Descriptors
Not available