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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[6-(4-fluorophenyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: 2-[[6-(4-fluorophenyl)pyridazin-3-yl]thio]-N-piperonyl-acetamide Formula: C20H16FN3O3S MolecularWeight: 397.422743

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C20H16FN3O3S/c21-15-4-2-14(3-5-15)16-6-8-20(24-23-16)28-11-19(25)22-10-13-1-7-17-18(9-13)27-12-26-17/h1-9H,10-12H2,(H,22,25)