2-[2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-oxidanylidene-pyridazin-4-yl]oxy-3-methyl-butanethial

Systemtic Name: 2-[2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-oxidanylidene-pyridazin-4-yl]oxy-3-methyl-butanethial Openeye Name: 2-[2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-oxo-pyridazin-4-yl]oxy-3-methyl-butanethial CAS Name: 2-[[2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-oxo-4-pyridazinyl]oxy]-3-methylbutanethial IUPAC Name: 2-[2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-oxopyridazin-4-yl]oxy-3-methylbutanethial Traditional Name: 2-[2-(4-fluorophenyl)-3-keto-5-(4-mesylphenyl)pyridazin-4-yl]oxy-3-methyl-thiobutyraldehyde Formula: C22H21FN2O4S2 MolecularWeight: 460.541543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C=S)OC1=C(C=NN(C1=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)C(C=S)OC1=C(C=NN(C1=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H21FN2O4S2/c1-14(2)20(13-30)29-21-19(15-4-10-18(11-5-15)31(3,27)28)12-24-25(22(21)26)17-8-6-16(23)7-9-17/h4-14,20H,1-3H3