4-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylbutan-2-one

Systemtic Name: 4-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylbutan-2-one Openeye Name: 4-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylbutan-2-one CAS Name: 4-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-2-butanone IUPAC Name: 4-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylbutan-2-one Traditional Name: 4-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]butan-2-one Formula: C18H15FN2OS MolecularWeight: 326.387903

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCSC1=NN=C(C2=CC=CC=C21)C3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)CCSC1=NN=C(C2=CC=CC=C21)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H15FN2OS/c1-12(22)10-11-23-18-16-5-3-2-4-15(16)17(20-21-18)13-6-8-14(19)9-7-13/h2-9H,10-11H2,1H3