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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[6-(4-nitrophenyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[6-(4-nitrophenyl)pyridazin-3-yl]thio]acetamide Formula: C19H14N4O5S MolecularWeight: 410.40326

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14N4O5S/c24-18(20-13-3-7-16-17(9-13)28-11-27-16)10-29-19-8-6-15(21-22-19)12-1-4-14(5-2-12)23(25)26/h1-9H,10-11H2,(H,20,24)