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

Systemtic Name: 1-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-(phenylmethylsulfanyl)ethanone Openeye Name: 2-benzylsulfanyl-1-[4-[6-(p-tolyl)pyridazin-3-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[6-(4-methylphenyl)-3-pyridazinyl]-1-piperazinyl]-2-(phenylmethylthio)ethanone IUPAC Name: 2-benzylsulfanyl-1-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]ethanone Traditional Name: 2-(benzylthio)-1-[4-[6-(p-tolyl)pyridazin-3-yl]piperazino]ethanone Formula: C24H26N4OS MolecularWeight: 418.55444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)CSCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)CSCC4=CC=CC=C4

InChI

InChI=1S/C24H26N4OS/c1-19-7-9-21(10-8-19)22-11-12-23(26-25-22)27-13-15-28(16-14-27)24(29)18-30-17-20-5-3-2-4-6-20/h2-12H,13-18H2,1H3