Compound Identification
SMILES
S=C(NN=C1CC(OC2=CC=CC=C12)C1=CC=CC=C1)NC1=CN=CC=C1
InChIKey
InChIKey=UCLBAUUMUPHAKZ-UHFFFAOYSA-N
Formula
C21H18N4OS
Mass
374.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
- Subclass Flavans
-
Class
Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavans
Intermediate Tree Nodes
Not available
Direct Parent
Flavans
Alternative Parents
1-benzopyrans Alkyl aryl ethers Thiosemicarbazones Pyridines and derivatives Benzene and substituted derivatives Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organosulfur compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavan - Chromane - Benzopyran - 1-benzopyran - Alkyl aryl ether - Monocyclic benzene moiety - Pyridine - Thiosemicarbazone - Benzenoid - Heteroaromatic compound - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flavans. These are compounds containing a flavan moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran skeleton.
External Descriptors
Not available