N-(1,3-benzodioxol-5-yl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[6-(4-phenylphenyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[6-(4-phenylphenyl)pyridazin-3-yl]thio]acetamide Formula: C25H19N3O3S MolecularWeight: 441.50166

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C(C=C3)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C(C=C3)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H19N3O3S/c29-24(26-20-10-12-22-23(14-20)31-16-30-22)15-32-25-13-11-21(27-28-25)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-14H,15-16H2,(H,26,29)