Compound Identification
SMILES
CC1=CC=C(C=C1)N1[C@H](NC(=O)C(C#N)=C1S)C1=CC=CO1
InChIKey
InChIKey=VFIRJYJMECEAGF-AWEZNQCLSA-N
Formula
C16H13N3O2S
Mass
311.36
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Toluenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Not available
Direct Parent
Toluenes
Alternative Parents
Hydropyrimidines Vinylogous amides Furans Heteroaromatic compounds Amino acids and derivatives Tertiary amines Secondary carboxylic acid amides Ketene acetals Lactams Azacyclic compounds Oxacyclic compounds Alkylthiols Nitriles Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Toluene - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Furan - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Ketene acetal or derivatives - Lactam - Secondary carboxylic acid amide - Tertiary amine - Alkylthiol - Carboxylic acid derivative - Oxacycle - Azacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group.
External Descriptors
Not available