4-(tert-butylsulfanylmethyl)-2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one

Systemtic Name: 4-(tert-butylsulfanylmethyl)-2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 4-(tert-butylsulfanylmethyl)-2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 4-[(tert-butylthio)methyl]-2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 4-(tert-butylsulfanylmethyl)-2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 4-[(tert-butylthio)methyl]-2-(4-fluorophenyl)-5-(4-mesylphenyl)pyridazin-3-one Formula: C22H23FN2O3S2 MolecularWeight: 446.558023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC1=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)SCC1=C(C=NN(C1=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H23FN2O3S2/c1-22(2,3)29-14-20-19(15-5-11-18(12-6-15)30(4,27)28)13-24-25(21(20)26)17-9-7-16(23)8-10-17/h5-13H,14H2,1-4H3