N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[6-(4-phenylphenyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[6-(4-phenylphenyl)pyridazin-3-yl]thio]acetamide Formula: C26H21N3O3S MolecularWeight: 455.52824

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C(C=C3)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C(C=C3)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H21N3O3S/c30-25(27-21-10-12-23-24(16-21)32-15-14-31-23)17-33-26-13-11-22(28-29-26)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-13,16H,14-15,17H2,(H,27,30)