Compound Identification
SMILES
COC1=C(C#N)C(CCNC(=S)NN2NC=C(Cl)C=C2)=C(F)C=C1
InChIKey
InChIKey=SRVQDDAUGFLKHQ-UHFFFAOYSA-N
Formula
C15H15ClFN5OS
Mass
367.83
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzonitriles
Intermediate Tree Nodes
Not available
Direct Parent
Benzonitriles
Alternative Parents
Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Fluorobenzenes Pyridazines and derivatives Aryl fluorides Organic triazanes Vinyl chlorides Azacyclic compounds Chloroalkenes Nitriles Organofluorides Organochlorides Hydrocarbon derivatives Organosulfur compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxy compound - Anisole - Benzonitrile - Methoxybenzene - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Pyridazine - Organic triazane - Vinyl halide - Azacycle - Ether - Chloroalkene - Carbonitrile - Nitrile - Haloalkene - Organoheterocyclic compound - Vinyl chloride - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Cyanide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
External Descriptors
Not available