2-(4-tert-butylphenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one

Systemtic Name: 2-(4-tert-butylphenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 2-(4-tert-butylphenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 2-(4-tert-butylphenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 2-(4-tert-butylphenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-(4-tert-butylphenyl)-4-(4-fluorophenyl)-5-(4-mesylphenyl)pyridazin-3-one Formula: C27H25FN2O3S MolecularWeight: 476.562403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H25FN2O3S/c1-27(2,3)20-9-13-22(14-10-20)30-26(31)25(19-5-11-21(28)12-6-19)24(17-29-30)18-7-15-23(16-8-18)34(4,32)33/h5-17H,1-4H3