1-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-3,3-dimethyl-butan-2-one Openeye Name: 1-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-3,3-dimethyl-butan-2-one CAS Name: 1-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-3,3-dimethylbutan-2-one Traditional Name: 1-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]-3,3-dimethyl-butan-2-one Formula: C20H19FN2OS MolecularWeight: 354.441063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=C(C2=CC=CC=C21)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=C(C2=CC=CC=C21)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H19FN2OS/c1-20(2,3)17(24)12-25-19-16-7-5-4-6-15(16)18(22-23-19)13-8-10-14(21)11-9-13/h4-11H,12H2,1-3H3