Compound Identification
SMILES
COC1=C(C=CC(SC)=C1)C(=O)N1C=NC2=C1C=C(C)C(C)=C2
InChIKey
InChIKey=ZKOMYGLZUBFGAN-UHFFFAOYSA-N
Formula
C18H18N2O2S
Mass
326.41
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
Benzimidazoles Thiophenol ethers Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Alkylarylthioethers N-acylimidazoles Carbonylimidazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-sulfanylbenzoic acid or derivatives - Benzimidazole - Phenol ether - Phenoxy compound - Aryl thioether - Anisole - Thiophenol ether - Benzoyl - Methoxybenzene - N-acylimidazole - Alkyl aryl ether - Alkylarylthioether - Imidazole-1-carbonyl group - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Azacycle - Ether - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur 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