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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4C=CN=C4

InChI

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