2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[6-(2,5-dimethoxyphenyl)-3-pyridazinyl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]thio]-1-(4-phenylpiperazino)ethanone Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O3S/c1-30-19-8-10-22(31-2)20(16-19)21-9-11-23(26-25-21)32-17-24(29)28-14-12-27(13-15-28)18-6-4-3-5-7-18/h3-11,16H,12-15,17H2,1-2H3