2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-1-pyrrolidin-1-yl-propan-1-one CAS Name: 2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]-1-pyrrolidino-propan-1-one Formula: C21H20FN3OS MolecularWeight: 381.466403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)SC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C(=O)N1CCCC1)SC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H20FN3OS/c1-14(21(26)25-12-4-5-13-25)27-20-18-7-3-2-6-17(18)19(23-24-20)15-8-10-16(22)11-9-15/h2-3,6-11,14H,4-5,12-13H2,1H3