2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-1-(2,4,5-trimethylphenyl)ethanone

Systemtic Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-1-(2,4,5-trimethylphenyl)ethanone Openeye Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-1-(2,4,5-trimethylphenyl)ethanone CAS Name: 2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-1-(2,4,5-trimethylphenyl)ethanone IUPAC Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-1-(2,4,5-trimethylphenyl)ethanone Traditional Name: 2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]-1-(2,4,5-trimethylphenyl)ethanone Formula: C25H21FN2OS MolecularWeight: 416.510443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F)C)C

InChI

InChI=1S/C25H21FN2OS/c1-15-12-17(3)22(13-16(15)2)23(29)14-30-25-21-7-5-4-6-20(21)24(27-28-25)18-8-10-19(26)11-9-18/h4-13H,14H2,1-3H3