N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-ethyl-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-ethyl-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-acetamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-N-ethyl-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]acetamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-N-ethyl-2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]acetamide Formula: C22H22FN3O3S2 MolecularWeight: 459.556783

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

CCN([C@H]1CCS(=O)(=O)C1)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FN3O3S2/c1-2-26(17-11-12-31(28,29)14-17)20(27)13-30-22-19-6-4-3-5-18(19)21(24-25-22)15-7-9-16(23)10-8-15/h3-10,17H,2,11-14H2,1H3/t17-/m0/s1