Compound Identification
SMILES
ClC1=CC(NC(=O)COC2(CCN(CC3=CSC4=CC=CC=C34)CC2)C2=CC=C(C=C2)C2=CC=CC(=C2)C#N)=CC(Cl)=C1
InChIKey
InChIKey=MMBUEJFKNQPBGH-UHFFFAOYSA-N
Formula
C35H29Cl2N3O2S
Mass
626.6
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Biphenyls and derivatives
- Level 5 Biphenylcarbonitriles
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Subclass
Biphenyls and derivatives
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Biphenyls and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Biphenylcarbonitriles
Alternative Parents
Phenylpiperidines 1-benzothiophenes Anilides Benzylethers N-arylamides Dichlorobenzenes Benzonitriles Aralkylamines Aryl chlorides Thiophenes Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Nitriles Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Biphenylcarbonitrile - Phenylpiperidine - Anilide - Benzylether - Benzothiophene - 1-benzothiophene - 1,3-dichlorobenzene - N-arylamide - Benzonitrile - Halobenzene - Aralkylamine - Chlorobenzene - Aryl chloride - Piperidine - Aryl halide - Heteroaromatic compound - Thiophene - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Carbonitrile - Nitrile - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Organonitrogen compound - Organic oxygen compound - Organochloride - Cyanide - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as biphenylcarbonitriles. These are organic compounds containing an acetonitrile with one hydrogen replaced by a biphenyl group.
External Descriptors
Not available