N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(methylthio)pyrimidine-4-carboxamide Formula: C13H8ClF2N3O3S MolecularWeight: 359.735726

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NC2=CC3=C(C=C2)OC(O3)(F)F)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NC2=CC3=C(C=C2)OC(O3)(F)F)Cl

InChI

InChI=1S/C13H8ClF2N3O3S/c1-23-12-17-5-7(14)10(19-12)11(20)18-6-2-3-8-9(4-6)22-13(15,16)21-8/h2-5H,1H3,(H,18,20)