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

Systemtic Name: methyl N-[[2-(4-methylphenyl)-6-phenylsulfanyl-imidazo[1,2-b]pyridazin-3-yl]methyl]carbamate Openeye Name: methyl N-[[6-phenylsulfanyl-2-(p-tolyl)imidazo[1,2-b]pyridazin-3-yl]methyl]carbamate CAS Name: N-[[2-(4-methylphenyl)-6-(phenylthio)-3-imidazo[1,2-b]pyridazinyl]methyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-(4-methylphenyl)-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]carbamate Traditional Name: N-[[6-(phenylthio)-2-(p-tolyl)imidazo[1,2-b]pyridazin-3-yl]methyl]carbamic acid methyl ester Formula: C22H20N4O2S MolecularWeight: 404.4848

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O2S/c1-15-8-10-16(11-9-15)21-18(14-23-22(27)28-2)26-19(24-21)12-13-20(25-26)29-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,23,27)