2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-1-[(2S)-2-methylmorpholin-4-yl]ethanone

Systemtic Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-1-[(2S)-2-methylmorpholin-4-yl]ethanone Openeye Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-1-[(2S)-2-methylmorpholin-4-yl]ethanone CAS Name: 2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-1-[(2S)-2-methyl-4-morpholinyl]ethanone IUPAC Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-1-[(2S)-2-methylmorpholin-4-yl]ethanone Traditional Name: 2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]-1-[(2S)-2-methylmorpholino]ethanone Formula: C21H20FN3O2S MolecularWeight: 397.465803

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCO1)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

C[C@H]1CN(CCO1)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H20FN3O2S/c1-14-12-25(10-11-27-14)19(26)13-28-21-18-5-3-2-4-17(18)20(23-24-21)15-6-8-16(22)9-7-15/h2-9,14H,10-13H2,1H3/t14-/m0/s1