N-[[2-(1,3-benzodioxol-5-yl)-6-phenylsulfanyl-imidazo[1,2-b]pyridazin-3-yl]methyl]ethanamide

Systemtic Name: N-[[2-(1,3-benzodioxol-5-yl)-6-phenylsulfanyl-imidazo[1,2-b]pyridazin-3-yl]methyl]ethanamide Openeye Name: N-[[2-(1,3-benzodioxol-5-yl)-6-phenylsulfanyl-imidazo[1,2-b]pyridazin-3-yl]methyl]acetamide CAS Name: N-[[2-(1,3-benzodioxol-5-yl)-6-(phenylthio)-3-imidazo[1,2-b]pyridazinyl]methyl]acetamide IUPAC Name: N-[[2-(1,3-benzodioxol-5-yl)-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]acetamide Traditional Name: N-[[2-(1,3-benzodioxol-5-yl)-6-(phenylthio)imidazo[1,2-b]pyridazin-3-yl]methyl]acetamide Formula: C22H18N4O3S MolecularWeight: 418.46832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=C(N=C2N1N=C(C=C2)SC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(=O)NCC1=C(N=C2N1N=C(C=C2)SC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H18N4O3S/c1-14(27)23-12-17-22(15-7-8-18-19(11-15)29-13-28-18)24-20-9-10-21(25-26(17)20)30-16-5-3-2-4-6-16/h2-11H,12-13H2,1H3,(H,23,27)