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

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

CCCCC1=NOC(=N1)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

CCCCC1=NOC(=N1)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

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