N-[[2-(4-tert-butylphenyl)-6-methylsulfanyl-imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide

Systemtic Name: N-[[2-(4-tert-butylphenyl)-6-methylsulfanyl-imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide Openeye Name: N-[[2-(4-tert-butylphenyl)-6-methylsulfanyl-imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide CAS Name: N-[[2-(4-tert-butylphenyl)-6-(methylthio)-3-imidazo[1,2-b]pyridazinyl]methyl]benzamide IUPAC Name: N-[[2-(4-tert-butylphenyl)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]benzamide Traditional Name: N-[[2-(4-tert-butylphenyl)-6-(methylthio)imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide Formula: C25H26N4OS MolecularWeight: 430.56514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(N3C(=N2)C=CC(=N3)SC)CNC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(N3C(=N2)C=CC(=N3)SC)CNC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H26N4OS/c1-25(2,3)19-12-10-17(11-13-19)23-20(16-26-24(30)18-8-6-5-7-9-18)29-21(27-23)14-15-22(28-29)31-4/h5-15H,16H2,1-4H3,(H,26,30)