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

Systemtic Name: N-(2-cyanoethyl)-N-phenyl-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-phenyl-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-phenyl-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-(2-cyanoethyl)-N-phenyl-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-phenyl-2-(2-pyrimidylthio)acetamide Formula: C15H14N4OS MolecularWeight: 298.36286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N4OS/c16-8-4-11-19(13-6-2-1-3-7-13)14(20)12-21-15-17-9-5-10-18-15/h1-3,5-7,9-10H,4,11-12H2