1-[4-(4-nitrophenyl)piperazin-1-yl]-2-(6-phenylpyridazin-3-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-(6-phenylpyridazin-3-yl)sulfanyl-ethanone Openeye Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-(6-phenylpyridazin-3-yl)sulfanyl-ethanone CAS Name: 1-[4-(4-nitrophenyl)-1-piperazinyl]-2-[(6-phenyl-3-pyridazinyl)thio]ethanone IUPAC Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-(6-phenylpyridazin-3-yl)sulfanylethanone Traditional Name: 1-[4-(4-nitrophenyl)piperazino]-2-[(6-phenylpyridazin-3-yl)thio]ethanone Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CSC3=NN=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CSC3=NN=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O3S/c28-22(16-31-21-11-10-20(23-24-21)17-4-2-1-3-5-17)26-14-12-25(13-15-26)18-6-8-19(9-7-18)27(29)30/h1-11H,12-16H2