N-(phenylmethyl)-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(phenylmethyl)-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-benzyl-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-(phenylmethyl)-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-benzyl-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-benzyl-2-(2-pyrimidylthio)acetamide Formula: C13H13N3OS MolecularWeight: 259.32682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CSC2=NC=CC=N2

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CSC2=NC=CC=N2

InChI

InChI=1S/C13H13N3OS/c17-12(10-18-13-14-7-4-8-15-13)16-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,17)