N-(4-bromanyl-2-methylsulfanyl-phenyl)-N-(pyrimidin-5-ylmethyl)methanesulfonamide

Systemtic Name: N-(4-bromanyl-2-methylsulfanyl-phenyl)-N-(pyrimidin-5-ylmethyl)methanesulfonamide Openeye Name: N-(4-bromo-2-methylsulfanyl-phenyl)-N-(pyrimidin-5-ylmethyl)methanesulfonamide CAS Name: N-[4-bromo-2-(methylthio)phenyl]-N-(5-pyrimidinylmethyl)methanesulfonamide IUPAC Name: N-(4-bromo-2-methylsulfanylphenyl)-N-(pyrimidin-5-ylmethyl)methanesulfonamide Traditional Name: N-[4-bromo-2-(methylthio)phenyl]-N-(5-pyrimidylmethyl)methanesulfonamide Formula: C13H14BrN3O2S2 MolecularWeight: 388.30316

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=C1)Br)N(CC2=CN=CN=C2)S(=O)(=O)C

Isomeric SMILES

CSC1=C(C=CC(=C1)Br)N(CC2=CN=CN=C2)S(=O)(=O)C

InChI

InChI=1S/C13H14BrN3O2S2/c1-20-13-5-11(14)3-4-12(13)17(21(2,18)19)8-10-6-15-9-16-7-10/h3-7,9H,8H2,1-2H3