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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN=C(C=C2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])N4C=CN=C4

Isomeric SMILES

C1=CC(=CC=C1C2=NN=C(C=C2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])N4C=CN=C4

InChI

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