2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-1-[4-(1-phenylethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-1-[4-(1-phenylethyl)piperazin-1-yl]ethanone Openeye Name: 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-1-[4-(1-phenylethyl)piperazin-1-yl]ethanone CAS Name: 2-[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]thio]-1-[4-(1-phenylethyl)-1-piperazinyl]ethanone IUPAC Name: 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-1-[4-(1-phenylethyl)piperazin-1-yl]ethanone Traditional Name: 2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]thio]-1-[4-(1-phenylethyl)piperazino]ethanone Formula: C23H28N6OS MolecularWeight: 436.57302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C=C2)SCC(=O)N3CCN(CC3)C(C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C=C2)SCC(=O)N3CCN(CC3)C(C)C4=CC=CC=C4)C

InChI

InChI=1S/C23H28N6OS/c1-17-15-18(2)29(26-17)21-9-10-22(25-24-21)31-16-23(30)28-13-11-27(12-14-28)19(3)20-7-5-4-6-8-20/h4-10,15,19H,11-14,16H2,1-3H3