2-(1-cyclopropylethyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one

Systemtic Name: 2-(1-cyclopropylethyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 2-(1-cyclopropylethyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 2-(1-cyclopropylethyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 2-(1-cyclopropylethyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-(1-cyclopropylethyl)-4-(4-fluorophenyl)-5-(4-mesylphenyl)pyridazin-3-one Formula: C22H21FN2O3S MolecularWeight: 412.477143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)N2C(=O)C(=C(C=N2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C1CC1)N2C(=O)C(=C(C=N2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H21FN2O3S/c1-14(15-3-4-15)25-22(26)21(17-5-9-18(23)10-6-17)20(13-24-25)16-7-11-19(12-8-16)29(2,27)28/h5-15H,3-4H2,1-2H3