2-[3,4-bis(fluoranyl)phenyl]-5-(4-methylsulfonylphenyl)-4-prop-1-ynyl-pyridazin-3-one

Systemtic Name: 2-[3,4-bis(fluoranyl)phenyl]-5-(4-methylsulfonylphenyl)-4-prop-1-ynyl-pyridazin-3-one Openeye Name: 2-(3,4-difluorophenyl)-5-(4-methylsulfonylphenyl)-4-prop-1-ynyl-pyridazin-3-one CAS Name: 2-(3,4-difluorophenyl)-5-(4-methylsulfonylphenyl)-4-prop-1-ynyl-3-pyridazinone IUPAC Name: 2-(3,4-difluorophenyl)-5-(4-methylsulfonylphenyl)-4-prop-1-ynylpyridazin-3-one Traditional Name: 2-(3,4-difluorophenyl)-5-(4-mesylphenyl)-4-prop-1-ynyl-pyridazin-3-one Formula: C20H14F2N2O3S MolecularWeight: 400.398566

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=C(C=NN(C1=O)C2=CC(=C(C=C2)F)F)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC#CC1=C(C=NN(C1=O)C2=CC(=C(C=C2)F)F)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H14F2N2O3S/c1-3-4-16-17(13-5-8-15(9-6-13)28(2,26)27)12-23-24(20(16)25)14-7-10-18(21)19(22)11-14/h5-12H,1-2H3