2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

Systemtic Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Openeye Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone CAS Name: 2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Traditional Name: 2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Formula: C23H20FN3OS MolecularWeight: 405.487803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H20FN3OS/c1-14-12-20(15(2)27(14)3)21(28)13-29-23-19-7-5-4-6-18(19)22(25-26-23)16-8-10-17(24)11-9-16/h4-12H,13H2,1-3H3