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

Systemtic Name: 2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-(3-nitrophenyl)acetamide CAS Name: 2-[[6-[4-(1-imidazolyl)phenyl]-3-pyridazinyl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-(3-nitrophenyl)acetamide Traditional Name: 2-[[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]thio]-N-(3-nitrophenyl)acetamide Formula: C21H16N6O3S MolecularWeight: 432.45514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N6O3S/c28-20(23-16-2-1-3-18(12-16)27(29)30)13-31-21-9-8-19(24-25-21)15-4-6-17(7-5-15)26-11-10-22-14-26/h1-12,14H,13H2,(H,23,28)