N-[[2-(1,3-benzodioxol-5-yl)-6-methylsulfanyl-imidazo[1,2-b]pyridazin-3-yl]methyl]-3-nitro-benzamide

Systemtic Name: N-[[2-(1,3-benzodioxol-5-yl)-6-methylsulfanyl-imidazo[1,2-b]pyridazin-3-yl]methyl]-3-nitro-benzamide Openeye Name: N-[[2-(1,3-benzodioxol-5-yl)-6-methylsulfanyl-imidazo[1,2-b]pyridazin-3-yl]methyl]-3-nitro-benzamide CAS Name: N-[[2-(1,3-benzodioxol-5-yl)-6-(methylthio)-3-imidazo[1,2-b]pyridazinyl]methyl]-3-nitrobenzamide IUPAC Name: N-[[2-(1,3-benzodioxol-5-yl)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]-3-nitrobenzamide Traditional Name: N-[[2-(1,3-benzodioxol-5-yl)-6-(methylthio)imidazo[1,2-b]pyridazin-3-yl]methyl]-3-nitro-benzamide Formula: C22H17N5O5S MolecularWeight: 463.46588

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN2C(=NC(=C2CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC5=C(C=C4)OCO5)C=C1

Isomeric SMILES

CSC1=NN2C(=NC(=C2CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC5=C(C=C4)OCO5)C=C1

InChI

InChI=1S/C22H17N5O5S/c1-33-20-8-7-19-24-21(13-5-6-17-18(10-13)32-12-31-17)16(26(19)25-20)11-23-22(28)14-3-2-4-15(9-14)27(29)30/h2-10H,11-12H2,1H3,(H,23,28)