4-phenylsulfanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]butanamide

Systemtic Name: 4-phenylsulfanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]butanamide Openeye Name: 4-phenylsulfanyl-N-[3-[2-(2-pyridyl)ethynyl]phenyl]butanamide CAS Name: 4-(phenylthio)-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]butanamide IUPAC Name: 4-phenylsulfanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]butanamide Traditional Name: 4-(phenylthio)-N-[3-[2-(2-pyridyl)ethynyl]phenyl]butyramide Formula: C23H20N2OS MolecularWeight: 372.4827

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCC(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)SCCCC(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=N3

InChI

InChI=1S/C23H20N2OS/c26-23(13-7-17-27-22-11-2-1-3-12-22)25-21-10-6-8-19(18-21)14-15-20-9-4-5-16-24-20/h1-6,8-12,16,18H,7,13,17H2,(H,25,26)