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

Systemtic Name: 1-[4-(6-naphthalen-2-ylpyridazin-3-yl)piperazin-1-yl]-2-(phenylmethylsulfanyl)ethanone Openeye Name: 2-benzylsulfanyl-1-[4-[6-(2-naphthyl)pyridazin-3-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[6-(2-naphthalenyl)-3-pyridazinyl]-1-piperazinyl]-2-(phenylmethylthio)ethanone IUPAC Name: 2-benzylsulfanyl-1-[4-(6-naphthalen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone Traditional Name: 2-(benzylthio)-1-[4-[6-(2-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=CC4=CC=CC=C4C=C3)C(=O)CSCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NN=C(C=C2)C3=CC4=CC=CC=C4C=C3)C(=O)CSCC5=CC=CC=C5

InChI

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