3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]sulfonyl-1H-pyridazin-6-one

Systemtic Name: 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]sulfonyl-1H-pyridazin-6-one Openeye Name: 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]sulfonyl-1H-pyridazin-6-one CAS Name: 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]sulfonyl-1H-pyridazin-6-one IUPAC Name: 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]sulfonyl-1H-pyridazin-6-one Traditional Name: 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]sulfonyl-1H-pyridazin-6-one Formula: C18H10F6N2O3S MolecularWeight: 448.339019

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)S(=O)(=O)C3=NNC(=O)C=C3

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)S(=O)(=O)C3=NNC(=O)C=C3

InChI

InChI=1S/C18H10F6N2O3S/c19-17(20,21)12-7-11(8-13(9-12)18(22,23)24)10-1-3-14(4-2-10)30(28,29)16-6-5-15(27)25-26-16/h1-9H,(H,25,27)