2-(4-fluorophenyl)-4-(2-methylpropylsulfanylmethyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one

Systemtic Name: 2-(4-fluorophenyl)-4-(2-methylpropylsulfanylmethyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 2-(4-fluorophenyl)-4-(isobutylsulfanylmethyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 2-(4-fluorophenyl)-4-[(2-methylpropylthio)methyl]-5-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 2-(4-fluorophenyl)-4-(2-methylpropylsulfanylmethyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-(4-fluorophenyl)-4-[(isobutylthio)methyl]-5-(4-mesylphenyl)pyridazin-3-one Formula: C22H23FN2O3S2 MolecularWeight: 446.558023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSCC1=C(C=NN(C1=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)CSCC1=C(C=NN(C1=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H23FN2O3S2/c1-15(2)13-29-14-21-20(16-4-10-19(11-5-16)30(3,27)28)12-24-25(22(21)26)18-8-6-17(23)7-9-18/h4-12,15H,13-14H2,1-3H3