1-[3-[3-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-2-oxidanyl-propoxy]phenyl]ethanone

Systemtic Name: 1-[3-[3-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-2-oxidanyl-propoxy]phenyl]ethanone Openeye Name: 1-[3-[3-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-2-hydroxy-propoxy]phenyl]ethanone CAS Name: 1-[3-[3-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-2-hydroxypropoxy]phenyl]ethanone IUPAC Name: 1-[3-[3-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-2-hydroxypropoxy]phenyl]ethanone Traditional Name: 1-[3-[3-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]-2-hydroxy-propoxy]phenyl]ethanone Formula: C25H21FN2O3S MolecularWeight: 448.509243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21FN2O3S/c1-16(29)18-5-4-6-21(13-18)31-14-20(30)15-32-25-23-8-3-2-7-22(23)24(27-28-25)17-9-11-19(26)12-10-17/h2-13,20,30H,14-15H2,1H3