1-(4-phenylpiperazin-1-yl)-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanyl-ethanone

Systemtic Name: 1-(4-phenylpiperazin-1-yl)-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanyl-ethanone Openeye Name: 1-(4-phenylpiperazin-1-yl)-2-[6-(4-pyridyl)pyridazin-3-yl]sulfanyl-ethanone CAS Name: 1-(4-phenyl-1-piperazinyl)-2-[(6-pyridin-4-yl-3-pyridazinyl)thio]ethanone IUPAC Name: 1-(4-phenylpiperazin-1-yl)-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone Traditional Name: 1-(4-phenylpiperazino)-2-[[6-(4-pyridyl)pyridazin-3-yl]thio]ethanone Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NN=C(C=C3)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NN=C(C=C3)C4=CC=NC=C4

InChI

InChI=1S/C21H21N5OS/c27-21(26-14-12-25(13-15-26)18-4-2-1-3-5-18)16-28-20-7-6-19(23-24-20)17-8-10-22-11-9-17/h1-11H,12-16H2