1-(2,4-dimethylphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanone

Systemtic Name: 1-(2,4-dimethylphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanone Openeye Name: 1-(2,4-dimethylphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanone CAS Name: 1-(2,4-dimethylphenyl)-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]ethanone IUPAC Name: 1-(2,4-dimethylphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylethanone Traditional Name: 1-(2,4-dimethylphenyl)-2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]ethanone Formula: C24H19FN2OS MolecularWeight: 402.483863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C24H19FN2OS/c1-15-7-12-19(16(2)13-15)22(28)14-29-24-21-6-4-3-5-20(21)23(26-27-24)17-8-10-18(25)11-9-17/h3-13H,14H2,1-2H3