N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-(2-pyrimidylthio)acetamide Formula: C15H13FN4OS MolecularWeight: 316.353323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCC(=O)N(CCC#N)C2=CC=C(C=C2)F

Isomeric SMILES

C1=CN=C(N=C1)SCC(=O)N(CCC#N)C2=CC=C(C=C2)F

InChI

InChI=1S/C15H13FN4OS/c16-12-3-5-13(6-4-12)20(10-1-7-17)14(21)11-22-15-18-8-2-9-19-15/h2-6,8-9H,1,10-11H2