2-[(4-Methylphenyl)sulfonyl]-3-[4-(3-methylthio(2-thienyl))phenyl]prop-2-enenitrile

HCID 69020176
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Basic information

Standard SMILES
CSc1ccsc1-c1ccc(C=C(C#N)S(=O)(=O)c2ccc(C)cc2)cc1
InChIKey
WHPCOUJLCLKPPN-UHFFFAOYSA-N
Molecular formula
C21H17NO2S3
Average molar mass
411.6 g/mol

Names & identifiers

Preferred name
2-[(4-Methylphenyl)sulfonyl]-3-[4-(3-methylthio(2-thienyl))phenyl]prop-2-enenitrile
IUPAC
2-(4-methylphenyl)sulfonyl-3-[4-(3-methylsulfanylthiophen-2-yl)phenyl]prop-2-enenitrile

Names & synonyms

SCHEMBL4372999WHPCOUJLCLKPPN-UHFFFAOYSA-N2-[(4-methylphenyl)sulfonyl]-3-[4-(3-methylthio(2-thienyl))phenyl]prop-2-enenitrile

Database identifiers

PubChem CID
69020176

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
120 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
27

Related reactions

2 records
New reaction record

Compound notes

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