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

Systemtic Name: 4-(cyclopropylmethylamino)-5-(4-methylsulfonylphenyl)-2-[2,2,2-tris(fluoranyl)ethyl]pyridazin-3-one Openeye Name: 4-(cyclopropylmethylamino)-5-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one CAS Name: 4-(cyclopropylmethylamino)-5-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)-3-pyridazinone IUPAC Name: 4-(cyclopropylmethylamino)-5-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one Traditional Name: 4-(cyclopropylmethylamino)-5-(4-mesylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one Formula: C17H18F3N3O3S MolecularWeight: 401.40333

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)N(N=C2)CC(F)(F)F)NCC3CC3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)N(N=C2)CC(F)(F)F)NCC3CC3

InChI

InChI=1S/C17H18F3N3O3S/c1-27(25,26)13-6-4-12(5-7-13)14-9-22-23(10-17(18,19)20)16(24)15(14)21-8-11-2-3-11/h4-7,9,11,21H,2-3,8,10H2,1H3