3-[[3-methyl-5-(trifluoromethyl)-1-benzofuran-2-yl]sulfonyl]-1H-pyridazin-6-one

Systemtic Name: 3-[[3-methyl-5-(trifluoromethyl)-1-benzofuran-2-yl]sulfonyl]-1H-pyridazin-6-one Openeye Name: 3-[3-methyl-5-(trifluoromethyl)benzofuran-2-yl]sulfonyl-1H-pyridazin-6-one CAS Name: 3-[[3-methyl-5-(trifluoromethyl)-2-benzofuranyl]sulfonyl]-1H-pyridazin-6-one IUPAC Name: 3-[[3-methyl-5-(trifluoromethyl)-1-benzofuran-2-yl]sulfonyl]-1H-pyridazin-6-one Traditional Name: 3-[3-methyl-5-(trifluoromethyl)benzofuran-2-yl]sulfonyl-1H-pyridazin-6-one Formula: C14H9F3N2O4S MolecularWeight: 358.29247

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)C(F)(F)F)S(=O)(=O)C3=NNC(=O)C=C3

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)C(F)(F)F)S(=O)(=O)C3=NNC(=O)C=C3

InChI

InChI=1S/C14H9F3N2O4S/c1-7-9-6-8(14(15,16)17)2-3-10(9)23-13(7)24(21,22)12-5-4-11(20)18-19-12/h2-6H,1H3,(H,18,20)