2-[1-(4-fluorophenyl)-4-methyl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-1-phenyl-ethanone

Systemtic Name: 2-[1-(4-fluorophenyl)-4-methyl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-1-phenyl-ethanone Openeye Name: 2-[1-(4-fluorophenyl)-4-methyl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-1-phenyl-ethanone CAS Name: 2-[[1-(4-fluorophenyl)-4-methyl-7-pyrazolo[3,4-d]pyridazinyl]thio]-1-phenylethanone IUPAC Name: 2-[1-(4-fluorophenyl)-4-methylpyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-1-phenylethanone Traditional Name: 2-[[1-(4-fluorophenyl)-4-methyl-pyrazolo[3,4-d]pyridazin-7-yl]thio]-1-phenyl-ethanone Formula: C20H15FN4OS MolecularWeight: 378.422703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C2=C1C=NN2C3=CC=C(C=C3)F)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=NN=C(C2=C1C=NN2C3=CC=C(C=C3)F)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H15FN4OS/c1-13-17-11-22-25(16-9-7-15(21)8-10-16)19(17)20(24-23-13)27-12-18(26)14-5-3-2-4-6-14/h2-11H,12H2,1H3