2-(phenylmethylsulfanyl)-N-pyrimidin-2-yl-ethanamide

Systemtic Name: 2-(phenylmethylsulfanyl)-N-pyrimidin-2-yl-ethanamide Openeye Name: 2-benzylsulfanyl-N-pyrimidin-2-yl-acetamide CAS Name: 2-(phenylmethylthio)-N-(2-pyrimidinyl)acetamide IUPAC Name: 2-benzylsulfanyl-N-pyrimidin-2-ylacetamide Traditional Name: 2-(benzylthio)-N-(2-pyrimidyl)acetamide Formula: C13H13N3OS MolecularWeight: 259.32682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(=O)NC2=NC=CC=N2

Isomeric SMILES

C1=CC=C(C=C1)CSCC(=O)NC2=NC=CC=N2

InChI

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