3-cyano-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide

Systemtic Name: 3-cyano-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide Openeye Name: 3-cyano-N-[3-[2-(2-thienyl)ethynyl]phenyl]benzamide CAS Name: 3-cyano-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide IUPAC Name: 3-cyano-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide Traditional Name: 3-cyano-N-[3-[2-(2-thienyl)ethynyl]phenyl]benzamide Formula: C20H12N2OS MolecularWeight: 328.38708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC=CC(=C2)C#N)C#CC3=CC=CS3

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC=CC(=C2)C#N)C#CC3=CC=CS3

InChI

InChI=1S/C20H12N2OS/c21-14-16-5-1-6-17(12-16)20(23)22-18-7-2-4-15(13-18)9-10-19-8-3-11-24-19/h1-8,11-13H,(H,22,23)