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

Systemtic Name: N-[[2-(3,4-dimethylphenyl)-6-methylsulfanyl-imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide Openeye Name: N-[[2-(3,4-dimethylphenyl)-6-methylsulfanyl-imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide CAS Name: N-[[2-(3,4-dimethylphenyl)-6-(methylthio)-3-imidazo[1,2-b]pyridazinyl]methyl]benzamide IUPAC Name: N-[[2-(3,4-dimethylphenyl)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]benzamide Traditional Name: N-[[2-(3,4-dimethylphenyl)-6-(methylthio)imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4OS/c1-15-9-10-18(13-16(15)2)22-19(14-24-23(28)17-7-5-4-6-8-17)27-20(25-22)11-12-21(26-27)29-3/h4-13H,14H2,1-3H3,(H,24,28)