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

Systemtic Name: 4-cyano-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide Openeye Name: 4-cyano-N-[3-[2-(2-thienyl)ethynyl]phenyl]benzamide CAS Name: 4-cyano-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide IUPAC Name: 4-cyano-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide Traditional Name: 4-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=C(C=C2)C#N)C#CC3=CC=CS3

Isomeric SMILES

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

InChI

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