N-[[2-(4-methylphenyl)-6-phenylsulfanyl-imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide

Systemtic Name: N-[[2-(4-methylphenyl)-6-phenylsulfanyl-imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide Openeye Name: N-[[6-phenylsulfanyl-2-(p-tolyl)imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide CAS Name: N-[[2-(4-methylphenyl)-6-(phenylthio)-3-imidazo[1,2-b]pyridazinyl]methyl]benzamide IUPAC Name: N-[[2-(4-methylphenyl)-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]benzamide Traditional Name: N-[[6-(phenylthio)-2-(p-tolyl)imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide Formula: C27H22N4OS MolecularWeight: 450.55478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N3C(=N2)C=CC(=N3)SC4=CC=CC=C4)CNC(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N3C(=N2)C=CC(=N3)SC4=CC=CC=C4)CNC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H22N4OS/c1-19-12-14-20(15-13-19)26-23(18-28-27(32)21-8-4-2-5-9-21)31-24(29-26)16-17-25(30-31)33-22-10-6-3-7-11-22/h2-17H,18H2,1H3,(H,28,32)