2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-1-(4-nitrophenyl)ethanone

Systemtic Name: 2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-1-(4-nitrophenyl)ethanone Openeye Name: 2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-1-(4-nitrophenyl)ethanone CAS Name: 2-[[6-[4-(1-imidazolyl)phenyl]-3-pyridazinyl]thio]-1-(4-nitrophenyl)ethanone IUPAC Name: 2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-1-(4-nitrophenyl)ethanone Traditional Name: 2-[[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]thio]-1-(4-nitrophenyl)ethanone Formula: C21H15N5O3S MolecularWeight: 417.4405

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN=C(C=C2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N4C=CN=C4

Isomeric SMILES

C1=CC(=CC=C1C2=NN=C(C=C2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N4C=CN=C4

InChI

InChI=1S/C21H15N5O3S/c27-20(16-3-7-18(8-4-16)26(28)29)13-30-21-10-9-19(23-24-21)15-1-5-17(6-2-15)25-12-11-22-14-25/h1-12,14H,13H2