4-[[3-methoxy-5-(trifluoromethyl)phenyl]amino]-5-(4-methylsulfonylphenyl)-2-[2,2,2-tris(fluoranyl)ethyl]pyridazin-3-one

Systemtic Name: 4-[[3-methoxy-5-(trifluoromethyl)phenyl]amino]-5-(4-methylsulfonylphenyl)-2-[2,2,2-tris(fluoranyl)ethyl]pyridazin-3-one Openeye Name: 4-[3-methoxy-5-(trifluoromethyl)anilino]-5-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one CAS Name: 4-[3-methoxy-5-(trifluoromethyl)anilino]-5-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)-3-pyridazinone IUPAC Name: 4-[3-methoxy-5-(trifluoromethyl)anilino]-5-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one Traditional Name: 5-(4-mesylphenyl)-4-[3-methoxy-5-(trifluoromethyl)anilino]-2-(2,2,2-trifluoroethyl)pyridazin-3-one Formula: C21H17F6N3O4S MolecularWeight: 521.432799

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC2=C(C=NN(C2=O)CC(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F

Isomeric SMILES

COC1=CC(=CC(=C1)NC2=C(C=NN(C2=O)CC(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F

InChI

InChI=1S/C21H17F6N3O4S/c1-34-15-8-13(21(25,26)27)7-14(9-15)29-18-17(10-28-30(19(18)31)11-20(22,23)24)12-3-5-16(6-4-12)35(2,32)33/h3-10,29H,11H2,1-2H3