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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=CC=C(C=C2)C3=NN=C(C=C3)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)C3=NN=C(C=C3)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

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