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

Systemtic Name: 1-(4-nitrophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanyl-ethanone Openeye Name: 1-(4-nitrophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanyl-ethanone CAS Name: 1-(4-nitrophenyl)-2-[[6-(2,4,5-trimethylphenyl)-3-pyridazinyl]thio]ethanone IUPAC Name: 1-(4-nitrophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylethanone Traditional Name: 1-(4-nitrophenyl)-2-[[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]thio]ethanone Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=NN=C(C=C2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=NN=C(C=C2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C21H19N3O3S/c1-13-10-15(3)18(11-14(13)2)19-8-9-21(23-22-19)28-12-20(25)16-4-6-17(7-5-16)24(26)27/h4-11H,12H2,1-3H3