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

Systemtic Name: 2-(phenylmethylsulfanyl)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone Openeye Name: 2-benzylsulfanyl-1-[4-[6-(2-thienyl)pyridazin-3-yl]piperazin-1-yl]ethanone CAS Name: 2-(phenylmethylthio)-1-[4-(6-thiophen-2-yl-3-pyridazinyl)-1-piperazinyl]ethanone IUPAC Name: 2-benzylsulfanyl-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone Traditional Name: 2-(benzylthio)-1-[4-[6-(2-thienyl)pyridazin-3-yl]piperazino]ethanone Formula: C21H22N4OS2 MolecularWeight: 410.55558

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(C=C2)C3=CC=CS3)C(=O)CSCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NN=C(C=C2)C3=CC=CS3)C(=O)CSCC4=CC=CC=C4

InChI

InChI=1S/C21H22N4OS2/c26-21(16-27-15-17-5-2-1-3-6-17)25-12-10-24(11-13-25)20-9-8-18(22-23-20)19-7-4-14-28-19/h1-9,14H,10-13,15-16H2