1-(4-cyclobutylcarbonyl-3-methyl-piperazin-1-yl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanyl-ethanone

Systemtic Name: 1-(4-cyclobutylcarbonyl-3-methyl-piperazin-1-yl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanyl-ethanone Openeye Name: 1-[4-(cyclobutanecarbonyl)-3-methyl-piperazin-1-yl]-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanyl-ethanone CAS Name: 1-[4-[cyclobutyl(oxo)methyl]-3-methyl-1-piperazinyl]-2-[[6-(4-phenylphenyl)-3-pyridazinyl]thio]ethanone IUPAC Name: 1-[4-(cyclobutanecarbonyl)-3-methylpiperazin-1-yl]-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylethanone Traditional Name: 1-[4-(cyclobutanecarbonyl)-3-methyl-piperazino]-2-[[6-(4-phenylphenyl)pyridazin-3-yl]thio]ethanone Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CCC2)C(=O)CSC3=NN=C(C=C3)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CC1CN(CCN1C(=O)C2CCC2)C(=O)CSC3=NN=C(C=C3)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H30N4O2S/c1-20-18-31(16-17-32(20)28(34)24-8-5-9-24)27(33)19-35-26-15-14-25(29-30-26)23-12-10-22(11-13-23)21-6-3-2-4-7-21/h2-4,6-7,10-15,20,24H,5,8-9,16-19H2,1H3