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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[6-(4-nitrophenyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: 2-[[6-(4-nitrophenyl)pyridazin-3-yl]thio]-N-piperonyl-acetamide Formula: C20H16N4O5S MolecularWeight: 424.42984

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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)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NN=C(C=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O5S/c25-19(21-10-13-1-7-17-18(9-13)29-12-28-17)11-30-20-8-6-16(22-23-20)14-2-4-15(5-3-14)24(26)27/h1-9H,10-12H2,(H,21,25)