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

Systemtic Name: 4-cyclohexylsulfanyl-5-(4-methylsulfonylphenyl)-2-[2,2,2-tris(fluoranyl)ethyl]pyridazin-3-one Openeye Name: 4-cyclohexylsulfanyl-5-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one CAS Name: 4-(cyclohexylthio)-5-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)-3-pyridazinone IUPAC Name: 4-cyclohexylsulfanyl-5-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one Traditional Name: 4-(cyclohexylthio)-5-(4-mesylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one Formula: C19H21F3N2O3S2 MolecularWeight: 446.50685

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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)SC3CCCCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)N(N=C2)CC(F)(F)F)SC3CCCCC3

InChI

InChI=1S/C19H21F3N2O3S2/c1-29(26,27)15-9-7-13(8-10-15)16-11-23-24(12-19(20,21)22)18(25)17(16)28-14-5-3-2-4-6-14/h7-11,14H,2-6,12H2,1H3