1-[4-(6-naphthalen-1-ylpyridazin-3-yl)piperazin-1-yl]-2-(phenylmethylsulfanyl)ethanone

Systemtic Name: 1-[4-(6-naphthalen-1-ylpyridazin-3-yl)piperazin-1-yl]-2-(phenylmethylsulfanyl)ethanone Openeye Name: 2-benzylsulfanyl-1-[4-[6-(1-naphthyl)pyridazin-3-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[6-(1-naphthalenyl)-3-pyridazinyl]-1-piperazinyl]-2-(phenylmethylthio)ethanone IUPAC Name: 2-benzylsulfanyl-1-[4-(6-naphthalen-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone Traditional Name: 2-(benzylthio)-1-[4-[6-(1-naphthyl)pyridazin-3-yl]piperazino]ethanone Formula: C27H26N4OS MolecularWeight: 454.58654

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(C=C2)C3=CC=CC4=CC=CC=C43)C(=O)CSCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NN=C(C=C2)C3=CC=CC4=CC=CC=C43)C(=O)CSCC5=CC=CC=C5

InChI

InChI=1S/C27H26N4OS/c32-27(20-33-19-21-7-2-1-3-8-21)31-17-15-30(16-18-31)26-14-13-25(28-29-26)24-12-6-10-22-9-4-5-11-23(22)24/h1-14H,15-20H2