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

Systemtic Name: 3-azanyl-N-[[2-(1,3-benzodioxol-5-yl)-6-methylsulfanyl-imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide Openeye Name: 3-amino-N-[[2-(1,3-benzodioxol-5-yl)-6-methylsulfanyl-imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide CAS Name: 3-amino-N-[[2-(1,3-benzodioxol-5-yl)-6-(methylthio)-3-imidazo[1,2-b]pyridazinyl]methyl]benzamide IUPAC Name: 3-amino-N-[[2-(1,3-benzodioxol-5-yl)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]benzamide Traditional Name: 3-amino-N-[[2-(1,3-benzodioxol-5-yl)-6-(methylthio)imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide Formula: C22H19N5O3S MolecularWeight: 433.48296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N5O3S/c1-31-20-8-7-19-25-21(13-5-6-17-18(10-13)30-12-29-17)16(27(19)26-20)11-24-22(28)14-3-2-4-15(23)9-14/h2-10H,11-12,23H2,1H3,(H,24,28)