6-[(4-Chlorophenyl)thio]-2,3-dihydro-2-(4-methoxyphenyl)-5-methyl-3-oxo-4-pyridazinecarbonitrile

HCID 9908067
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Basic information

Standard SMILES
COc1ccc(-n2nc(Sc3ccc(Cl)cc3)c(C)c(C#N)c2=O)cc1
InChIKey
JJOFFBCEZRPELI-UHFFFAOYSA-N
Molecular formula
C19H14ClN3O2S
Average molar mass
383.9 g/mol

Names & identifiers

Preferred name
6-[(4-Chlorophenyl)thio]-2,3-dihydro-2-(4-methoxyphenyl)-5-methyl-3-oxo-4-pyridazinecarbonitrile
IUPAC
6-(4-chlorophenyl)sulfanyl-2-(4-methoxyphenyl)-5-methyl-3-oxopyridazine-4-carbonitrile

Names & synonyms

SCHEMBL3884229JJOFFBCEZRPELI-UHFFFAOYSA-N6-[(4-chlorophenyl)thio]-2,3-dihydro-2-(4-methoxyphenyl)-5-methyl-3-oxo-4-pyridazinecarbonitrile

Database identifiers

PubChem CID
9908067

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
91 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
26

Related reactions

4 records
New reaction record

Linked notes

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