N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(2-pyrimidylthio)acetamide Formula: C15H13FN4OS MolecularWeight: 316.353323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N(CCC#N)C(=O)CSC2=NC=CC=N2)F

Isomeric SMILES

C1=CC=C(C(=C1)N(CCC#N)C(=O)CSC2=NC=CC=N2)F

InChI

InChI=1S/C15H13FN4OS/c16-12-5-1-2-6-13(12)20(10-3-7-17)14(21)11-22-15-18-8-4-9-19-15/h1-2,4-6,8-9H,3,10-11H2