2-pyrimidin-2-ylsulfanyl-N-[4,5,6-tris(fluoranyl)-1,3-benzothiazol-2-yl]ethanamide

Systemtic Name: 2-pyrimidin-2-ylsulfanyl-N-[4,5,6-tris(fluoranyl)-1,3-benzothiazol-2-yl]ethanamide Openeye Name: 2-pyrimidin-2-ylsulfanyl-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(2-pyrimidinylthio)-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-pyrimidin-2-ylsulfanyl-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(2-pyrimidylthio)-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)acetamide Formula: C13H7F3N4OS2 MolecularWeight: 356.34609

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCC(=O)NC2=NC3=C(S2)C=C(C(=C3F)F)F

Isomeric SMILES

C1=CN=C(N=C1)SCC(=O)NC2=NC3=C(S2)C=C(C(=C3F)F)F

InChI

InChI=1S/C13H7F3N4OS2/c14-6-4-7-11(10(16)9(6)15)20-13(23-7)19-8(21)5-22-12-17-2-1-3-18-12/h1-4H,5H2,(H,19,20,21)