1-(4-phenylpiperazin-1-yl)-2-(1-phenyl-4-propan-2-yl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-ethanone

Systemtic Name: 1-(4-phenylpiperazin-1-yl)-2-(1-phenyl-4-propan-2-yl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-ethanone Openeye Name: 2-(4-isopropyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 1-(4-phenyl-1-piperazinyl)-2-[(1-phenyl-4-propan-2-yl-7-pyrazolo[3,4-d]pyridazinyl)thio]ethanone IUPAC Name: 1-(4-phenylpiperazin-1-yl)-2-(1-phenyl-4-propan-2-ylpyrazolo[3,4-d]pyridazin-7-yl)sulfanylethanone Traditional Name: 2-[(4-isopropyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)thio]-1-(4-phenylpiperazino)ethanone Formula: C26H28N6OS MolecularWeight: 472.60512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(C2=C1C=NN2C3=CC=CC=C3)SCC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC(C)C1=NN=C(C2=C1C=NN2C3=CC=CC=C3)SCC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C26H28N6OS/c1-19(2)24-22-17-27-32(21-11-7-4-8-12-21)25(22)26(29-28-24)34-18-23(33)31-15-13-30(14-16-31)20-9-5-3-6-10-20/h3-12,17,19H,13-16,18H2,1-2H3