2-(2-cyanophenyl)sulfanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide

Systemtic Name: 2-(2-cyanophenyl)sulfanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide Openeye Name: 2-(2-cyanophenyl)sulfanyl-N-[3-[2-(2-pyridyl)ethynyl]phenyl]benzamide CAS Name: 2-[(2-cyanophenyl)thio]-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]benzamide IUPAC Name: 2-(2-cyanophenyl)sulfanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide Traditional Name: 2-[(2-cyanophenyl)thio]-N-[3-[2-(2-pyridyl)ethynyl]phenyl]benzamide Formula: C27H17N3OS MolecularWeight: 431.50838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4

InChI

InChI=1S/C27H17N3OS/c28-19-21-9-1-3-13-25(21)32-26-14-4-2-12-24(26)27(31)30-23-11-7-8-20(18-23)15-16-22-10-5-6-17-29-22/h1-14,17-18H,(H,30,31)