2-(3-bromophenyl)-5-(4-methylsulfonylphenyl)-4-propoxy-pyridazin-3-one

Systemtic Name: 2-(3-bromophenyl)-5-(4-methylsulfonylphenyl)-4-propoxy-pyridazin-3-one Openeye Name: 2-(3-bromophenyl)-5-(4-methylsulfonylphenyl)-4-propoxy-pyridazin-3-one CAS Name: 2-(3-bromophenyl)-5-(4-methylsulfonylphenyl)-4-propoxy-3-pyridazinone IUPAC Name: 2-(3-bromophenyl)-5-(4-methylsulfonylphenyl)-4-propoxypyridazin-3-one Traditional Name: 2-(3-bromophenyl)-5-(4-mesylphenyl)-4-propoxy-pyridazin-3-one Formula: C20H19BrN2O4S MolecularWeight: 463.34486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=NN(C1=O)C2=CC(=CC=C2)Br)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCCOC1=C(C=NN(C1=O)C2=CC(=CC=C2)Br)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H19BrN2O4S/c1-3-11-27-19-18(14-7-9-17(10-8-14)28(2,25)26)13-22-23(20(19)24)16-6-4-5-15(21)12-16/h4-10,12-13H,3,11H2,1-2H3