7-(5-methyl-2-methylsulfanyl-imidazo[1,5-b]pyridazin-7-yl)-1-phenyl-heptan-1-one

Systemtic Name: 7-(5-methyl-2-methylsulfanyl-imidazo[1,5-b]pyridazin-7-yl)-1-phenyl-heptan-1-one Openeye Name: 7-(5-methyl-2-methylsulfanyl-imidazo[1,5-b]pyridazin-7-yl)-1-phenyl-heptan-1-one CAS Name: 7-[5-methyl-2-(methylthio)-7-imidazo[1,5-b]pyridazinyl]-1-phenyl-1-heptanone IUPAC Name: 7-(5-methyl-2-methylsulfanylimidazo[1,5-b]pyridazin-7-yl)-1-phenylheptan-1-one Traditional Name: 7-[5-methyl-2-(methylthio)imidazo[1,5-b]pyridazin-7-yl]-1-phenyl-heptan-1-one Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC(=NN2C(=N1)CCCCCCC(=O)C3=CC=CC=C3)SC

Isomeric SMILES

CC1=C2C=CC(=NN2C(=N1)CCCCCCC(=O)C3=CC=CC=C3)SC

InChI

InChI=1S/C21H25N3OS/c1-16-18-14-15-21(26-2)23-24(18)20(22-16)13-9-4-3-8-12-19(25)17-10-6-5-7-11-17/h5-7,10-11,14-15H,3-4,8-9,12-13H2,1-2H3