N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-pyrimidylthio)acetamide Formula: C13H9F2N3O3S MolecularWeight: 325.290666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCC(=O)NC2=CC3=C(C=C2)OC(O3)(F)F

Isomeric SMILES

C1=CN=C(N=C1)SCC(=O)NC2=CC3=C(C=C2)OC(O3)(F)F

InChI

InChI=1S/C13H9F2N3O3S/c14-13(15)20-9-3-2-8(6-10(9)21-13)18-11(19)7-22-12-16-4-1-5-17-12/h1-6H,7H2,(H,18,19)