4-[2-oxidanylidene-2-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-oxidanylidene-2-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-oxo-2-[4-[6-(2-thienyl)pyridazin-3-yl]piperazin-1-yl]ethoxy]benzonitrile CAS Name: 4-[2-oxo-2-[4-(6-thiophen-2-yl-3-pyridazinyl)-1-piperazinyl]ethoxy]benzonitrile IUPAC Name: 4-[2-oxo-2-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethoxy]benzonitrile Traditional Name: 4-[2-keto-2-[4-[6-(2-thienyl)pyridazin-3-yl]piperazino]ethoxy]benzonitrile Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(C=C2)C3=CC=CS3)C(=O)COC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1C2=NN=C(C=C2)C3=CC=CS3)C(=O)COC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H19N5O2S/c22-14-16-3-5-17(6-4-16)28-15-21(27)26-11-9-25(10-12-26)20-8-7-18(23-24-20)19-2-1-13-29-19/h1-8,13H,9-12,15H2