4-(1-methoxypropylamino)-5-(4-methylsulfonylphenyl)-2-[2,2,2-tris(fluoranyl)ethyl]pyridazin-3-one

Systemtic Name: 4-(1-methoxypropylamino)-5-(4-methylsulfonylphenyl)-2-[2,2,2-tris(fluoranyl)ethyl]pyridazin-3-one Openeye Name: 4-(1-methoxypropylamino)-5-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one CAS Name: 4-(1-methoxypropylamino)-5-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)-3-pyridazinone IUPAC Name: 4-(1-methoxypropylamino)-5-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one Traditional Name: 5-(4-mesylphenyl)-4-(1-methoxypropylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one Formula: C17H20F3N3O4S MolecularWeight: 419.41861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(NC1=C(C=NN(C1=O)CC(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)C)OC

Isomeric SMILES

CCC(NC1=C(C=NN(C1=O)CC(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)C)OC

InChI

InChI=1S/C17H20F3N3O4S/c1-4-14(27-2)22-15-13(9-21-23(16(15)24)10-17(18,19)20)11-5-7-12(8-6-11)28(3,25)26/h5-9,14,22H,4,10H2,1-3H3