2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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