N-[2,6-bis(fluoranyl)phenyl]-2-(3-cyano-4,6-dithiophen-2-yl-pyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2,6-bis(fluoranyl)phenyl]-2-(3-cyano-4,6-dithiophen-2-yl-pyridin-2-yl)sulfanyl-ethanamide Openeye Name: 2-[[3-cyano-4,6-bis(2-thienyl)-2-pyridyl]sulfanyl]-N-(2,6-difluorophenyl)acetamide CAS Name: 2-[(3-cyano-4,6-dithiophen-2-yl-2-pyridinyl)thio]-N-(2,6-difluorophenyl)acetamide IUPAC Name: 2-(3-cyano-4,6-dithiophen-2-ylpyridin-2-yl)sulfanyl-N-(2,6-difluorophenyl)acetamide Traditional Name: 2-[[3-cyano-4,6-bis(2-thienyl)-2-pyridyl]thio]-N-(2,6-difluorophenyl)acetamide Formula: C22H13F2N3OS3 MolecularWeight: 469.549926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)F)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CS4)C#N)F

Isomeric SMILES

C1=CC(=C(C(=C1)F)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CS4)C#N)F

InChI

InChI=1S/C22H13F2N3OS3/c23-15-4-1-5-16(24)21(15)27-20(28)12-31-22-14(11-25)13(18-6-2-8-29-18)10-17(26-22)19-7-3-9-30-19/h1-10H,12H2,(H,27,28)