3-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonyl]-1H-pyridazin-6-one; 3-[(5-fluoranyl-3-methyl-1-benzofuran-2-yl)sulfonyl]-1H-pyridazin-6-one

Systemtic Name: 3-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonyl]-1H-pyridazin-6-one; 3-[(5-fluoranyl-3-methyl-1-benzofuran-2-yl)sulfonyl]-1H-pyridazin-6-one Openeye Name: 3-(5-chloro-3-methyl-benzothiophen-2-yl)sulfonyl-1H-pyridazin-6-one; 3-(5-fluoro-3-methyl-benzofuran-2-yl)sulfonyl-1H-pyridazin-6-one CAS Name: 3-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-1H-pyridazin-6-one; 3-[(5-fluoro-3-methyl-2-benzofuranyl)sulfonyl]-1H-pyridazin-6-one IUPAC Name: 3-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-1H-pyridazin-6-one; 3-[(5-fluoro-3-methyl-1-benzofuran-2-yl)sulfonyl]-1H-pyridazin-6-one Traditional Name: 3-(5-chloro-3-methyl-benzothiophen-2-yl)sulfonyl-1H-pyridazin-6-one; 3-(5-fluoro-3-methyl-benzofuran-2-yl)sulfonyl-1H-pyridazin-6-one Formula: C26H18ClFN4O7S3 MolecularWeight: 649.090123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)F)S(=O)(=O)C3=NNC(=O)C=C3.CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)C3=NNC(=O)C=C3

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)F)S(=O)(=O)C3=NNC(=O)C=C3.CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)C3=NNC(=O)C=C3

InChI

InChI=1S/C13H9ClN2O3S2.C13H9FN2O4S/c2*1-7-9-6-8(14)2-3-10(9)20-13(7)21(18,19)12-5-4-11(17)15-16-12/h2*2-6H,1H3,(H,15,17)