1-[4-[3-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]phenyl]carbonyl-2-methyl-piperazin-1-yl]propan-1-one

Systemtic Name: 1-[4-[3-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]phenyl]carbonyl-2-methyl-piperazin-1-yl]propan-1-one Openeye Name: 1-[4-[3-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]benzoyl]-2-methyl-piperazin-1-yl]propan-1-one CAS Name: 1-[4-[[3-[[[6-(4-fluorophenyl)-3-pyridazinyl]thio]methyl]phenyl]-oxomethyl]-2-methyl-1-piperazinyl]-1-propanone IUPAC Name: 1-[4-[3-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]benzoyl]-2-methylpiperazin-1-yl]propan-1-one Traditional Name: 1-[4-[3-[[[6-(4-fluorophenyl)pyridazin-3-yl]thio]methyl]benzoyl]-2-methyl-piperazino]propan-1-one Formula: C26H27FN4O2S MolecularWeight: 478.581583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1C)C(=O)C2=CC(=CC=C2)CSC3=NN=C(C=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CCC(=O)N1CCN(CC1C)C(=O)C2=CC(=CC=C2)CSC3=NN=C(C=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H27FN4O2S/c1-3-25(32)31-14-13-30(16-18(31)2)26(33)21-6-4-5-19(15-21)17-34-24-12-11-23(28-29-24)20-7-9-22(27)10-8-20/h4-12,15,18H,3,13-14,16-17H2,1-2H3