1-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-(phenylmethylsulfanyl)ethanone

Systemtic Name: 1-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-(phenylmethylsulfanyl)ethanone Openeye Name: 2-benzylsulfanyl-1-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[6-(3-methoxyphenyl)-3-pyridazinyl]-1-piperazinyl]-2-(phenylmethylthio)ethanone IUPAC Name: 2-benzylsulfanyl-1-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]ethanone Traditional Name: 2-(benzylthio)-1-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazino]ethanone Formula: C24H26N4O2S MolecularWeight: 434.55384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)CSCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)CSCC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O2S/c1-30-21-9-5-8-20(16-21)22-10-11-23(26-25-22)27-12-14-28(15-13-27)24(29)18-31-17-19-6-3-2-4-7-19/h2-11,16H,12-15,17-18H2,1H3