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

Systemtic Name: 1-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-(phenylmethylsulfanyl)ethanone Openeye Name: 2-benzylsulfanyl-1-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[6-(3,4-dimethoxyphenyl)-3-pyridazinyl]-1-piperazinyl]-2-(phenylmethylthio)ethanone IUPAC Name: 2-benzylsulfanyl-1-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]ethanone Traditional Name: 2-(benzylthio)-1-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazino]ethanone Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O3S/c1-31-22-10-8-20(16-23(22)32-2)21-9-11-24(27-26-21)28-12-14-29(15-13-28)25(30)18-33-17-19-6-4-3-5-7-19/h3-11,16H,12-15,17-18H2,1-2H3