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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[6-(4-phenylphenyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: 2-[[6-(4-phenylphenyl)pyridazin-3-yl]thio]-N-piperonyl-acetamide Formula: C26H21N3O3S MolecularWeight: 455.52824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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