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June 16, 2023
In my experiment, the insecticide synthesized by 4-(3-thienyl)benzonitrile works well.
The molecular formula is C11H7NS.
The molecular weight is 185.25 g/mol.
The IUPAC name is 4-thiophen-3-ylbenzonitrile.
The InChI is InChI=1S/C11H7NS/c12-7-9-1-3-10(4-2-9)11-5-6-13-8-11/h1-6,8H.
The InChIKey is GRAMVGQZHXAXHP-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=CC=C1C#N)C2=CSC=C2.
The CAS number is 172507-33-4.
The EC Number is 625-132-1.
The DSSTox Substance ID is DTXSID70399655.
Yes, it is a canonicalized compound.
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