1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phthalazin-1-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phthalazin-1-ylsulfanyl-ethanone Openeye Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phthalazin-1-ylsulfanyl-ethanone CAS Name: 1-[4-(4-methoxyphenyl)-1-piperazinyl]-2-(1-phthalazinylthio)ethanone IUPAC Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phthalazin-1-ylsulfanylethanone Traditional Name: 1-[4-(4-methoxyphenyl)piperazino]-2-(phthalazin-1-ylthio)ethanone Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NN=CC4=CC=CC=C43

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NN=CC4=CC=CC=C43

InChI

InChI=1S/C21H22N4O2S/c1-27-18-8-6-17(7-9-18)24-10-12-25(13-11-24)20(26)15-28-21-19-5-3-2-4-16(19)14-22-23-21/h2-9,14H,10-13,15H2,1H3