3-chloranyl-6-fluoranyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-6-fluoranyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-fluoro-N-[3-[2-(2-thienyl)ethynyl]phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-6-fluoro-N-[3-(2-thiophen-2-ylethynyl)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-fluoro-N-[3-(2-thiophen-2-ylethynyl)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-fluoro-N-[3-[2-(2-thienyl)ethynyl]phenyl]benzothiophene-2-carboxamide Formula: C21H11ClFNOS2 MolecularWeight: 411.899543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)C#CC4=CC=CS4

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)C#CC4=CC=CS4

InChI

InChI=1S/C21H11ClFNOS2/c22-19-17-9-7-14(23)12-18(17)27-20(19)21(25)24-15-4-1-3-13(11-15)6-8-16-5-2-10-26-16/h1-5,7,9-12H,(H,24,25)