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

Systemtic Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanone Openeye Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanone CAS Name: 1-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylethanone Traditional Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]ethanone Formula: C25H24FN3OS MolecularWeight: 433.540963

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C25H24FN3OS/c1-4-13-29-16(2)14-22(17(29)3)23(30)15-31-25-21-8-6-5-7-20(21)24(27-28-25)18-9-11-19(26)12-10-18/h5-12,14H,4,13,15H2,1-3H3