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

Systemtic Name: 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]thio]-1-[4-(2-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]thio]-1-[4-(2-nitrophenyl)piperazino]ethanone Formula: C21H23N7O3S MolecularWeight: 453.51742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C=C2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C=C2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-])C

InChI

InChI=1S/C21H23N7O3S/c1-15-13-16(2)27(24-15)19-7-8-20(23-22-19)32-14-21(29)26-11-9-25(10-12-26)17-5-3-4-6-18(17)28(30)31/h3-8,13H,9-12,14H2,1-2H3