1-(4-phenylpiperazin-1-yl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanyl-ethanone

Systemtic Name: 1-(4-phenylpiperazin-1-yl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanyl-ethanone Openeye Name: 1-(4-phenylpiperazin-1-yl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanyl-ethanone CAS Name: 1-(4-phenyl-1-piperazinyl)-2-[[6-(2,4,5-trimethylphenyl)-3-pyridazinyl]thio]ethanone IUPAC Name: 1-(4-phenylpiperazin-1-yl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylethanone Traditional Name: 1-(4-phenylpiperazino)-2-[[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]thio]ethanone Formula: C25H28N4OS MolecularWeight: 432.58102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=NN=C(C=C2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=NN=C(C=C2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4)C)C

InChI

InChI=1S/C25H28N4OS/c1-18-15-20(3)22(16-19(18)2)23-9-10-24(27-26-23)31-17-25(30)29-13-11-28(12-14-29)21-7-5-4-6-8-21/h4-10,15-16H,11-14,17H2,1-3H3