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

Systemtic Name: 4-[4-[3-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-2-oxidanyl-propoxy]phenyl]butan-2-one Openeye Name: 4-[4-[3-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-2-hydroxy-propoxy]phenyl]butan-2-one CAS Name: 4-[4-[3-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-2-hydroxypropoxy]phenyl]-2-butanone IUPAC Name: 4-[4-[3-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-2-hydroxypropoxy]phenyl]butan-2-one Traditional Name: 4-[4-[3-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]-2-hydroxy-propoxy]phenyl]butan-2-one Formula: C27H25FN2O3S MolecularWeight: 476.562403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OCC(CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F)O

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OCC(CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F)O

InChI

InChI=1S/C27H25FN2O3S/c1-18(31)6-7-19-8-14-23(15-9-19)33-16-22(32)17-34-27-25-5-3-2-4-24(25)26(29-30-27)20-10-12-21(28)13-11-20/h2-5,8-15,22,32H,6-7,16-17H2,1H3