1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanone Openeye Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanone CAS Name: 1-[4-(2-methoxyphenyl)-1-piperazinyl]-2-[(4-phenyl-1-phthalazinyl)thio]ethanone IUPAC Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanylethanone Traditional Name: 1-[4-(2-methoxyphenyl)piperazino]-2-[(4-phenylphthalazin-1-yl)thio]ethanone Formula: C27H26N4O2S MolecularWeight: 470.58594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O2S/c1-33-24-14-8-7-13-23(24)30-15-17-31(18-16-30)25(32)19-34-27-22-12-6-5-11-21(22)26(28-29-27)20-9-3-2-4-10-20/h2-14H,15-19H2,1H3