4-bromanyl-N-(4-ethylsulfanylphenyl)-2-iodanyl-N-pyrimidin-5-yl-benzenesulfonamide

Systemtic Name: 4-bromanyl-N-(4-ethylsulfanylphenyl)-2-iodanyl-N-pyrimidin-5-yl-benzenesulfonamide Openeye Name: 4-bromo-N-(4-ethylsulfanylphenyl)-2-iodo-N-pyrimidin-5-yl-benzenesulfonamide CAS Name: 4-bromo-N-[4-(ethylthio)phenyl]-2-iodo-N-(5-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-bromo-N-(4-ethylsulfanylphenyl)-2-iodo-N-pyrimidin-5-ylbenzenesulfonamide Traditional Name: 4-bromo-N-[4-(ethylthio)phenyl]-2-iodo-N-(5-pyrimidyl)benzenesulfonamide Formula: C18H15BrIN3O2S2 MolecularWeight: 576.26907

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)N(C2=CN=CN=C2)S(=O)(=O)C3=C(C=C(C=C3)Br)I

Isomeric SMILES

CCSC1=CC=C(C=C1)N(C2=CN=CN=C2)S(=O)(=O)C3=C(C=C(C=C3)Br)I

InChI

InChI=1S/C18H15BrIN3O2S2/c1-2-26-16-6-4-14(5-7-16)23(15-10-21-12-22-11-15)27(24,25)18-8-3-13(19)9-17(18)20/h3-12H,2H2,1H3