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

Systemtic Name: 2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-1-(3-nitrophenyl)ethanone Openeye Name: 2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-1-(3-nitrophenyl)ethanone CAS Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]thio]-1-(3-nitrophenyl)ethanone IUPAC Name: 2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-1-(3-nitrophenyl)ethanone Traditional Name: 2-[[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]thio]-1-(3-nitrophenyl)ethanone Formula: C19H13N3O5S MolecularWeight: 395.38862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13N3O5S/c23-16(13-2-1-3-14(8-13)22(24)25)10-28-19-7-5-15(20-21-19)12-4-6-17-18(9-12)27-11-26-17/h1-9H,10-11H2