3-[[3-(5-bromanyl-2-methylsulfonyl-phenoxy)-4-chloranyl-phenyl]methyl]-1H-pyridazin-6-one

Systemtic Name: 3-[[3-(5-bromanyl-2-methylsulfonyl-phenoxy)-4-chloranyl-phenyl]methyl]-1H-pyridazin-6-one Openeye Name: 3-[[3-(5-bromo-2-methylsulfonyl-phenoxy)-4-chloro-phenyl]methyl]-1H-pyridazin-6-one CAS Name: 3-[[3-(5-bromo-2-methylsulfonylphenoxy)-4-chlorophenyl]methyl]-1H-pyridazin-6-one IUPAC Name: 3-[[3-(5-bromo-2-methylsulfonylphenoxy)-4-chlorophenyl]methyl]-1H-pyridazin-6-one Traditional Name: 3-[3-(5-bromo-2-mesyl-phenoxy)-4-chloro-benzyl]-1H-pyridazin-6-one Formula: C18H14BrClN2O4S MolecularWeight: 469.73676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)Br)OC2=C(C=CC(=C2)CC3=NNC(=O)C=C3)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)Br)OC2=C(C=CC(=C2)CC3=NNC(=O)C=C3)Cl

InChI

InChI=1S/C18H14BrClN2O4S/c1-27(24,25)17-6-3-12(19)10-16(17)26-15-9-11(2-5-14(15)20)8-13-4-7-18(23)22-21-13/h2-7,9-10H,8H2,1H3,(H,22,23)