3-tert-butyl-5-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]-1,2,4-oxadiazole

Systemtic Name: 3-tert-butyl-5-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]-1,2,4-oxadiazole Openeye Name: 3-tert-butyl-5-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]-1,2,4-oxadiazole CAS Name: 3-tert-butyl-5-[[[4-(4-fluorophenyl)-1-phthalazinyl]thio]methyl]-1,2,4-oxadiazole IUPAC Name: 3-tert-butyl-5-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]-1,2,4-oxadiazole Traditional Name: 3-tert-butyl-5-[[[4-(4-fluorophenyl)phthalazin-1-yl]thio]methyl]-1,2,4-oxadiazole Formula: C21H19FN4OS MolecularWeight: 394.465163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=N1)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)C1=NOC(=N1)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H19FN4OS/c1-21(2,3)20-23-17(27-26-20)12-28-19-16-7-5-4-6-15(16)18(24-25-19)13-8-10-14(22)11-9-13/h4-11H,12H2,1-3H3