2-(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-[(2,4-dimethyl-5-phenyl-7-imidazo[1,5-b]pyridazinyl)thio]-1-(4-methylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)thio]-1-(4-mesylpiperazino)ethanone Formula: C21H25N5O3S2 MolecularWeight: 459.5849

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN2C1=C(N=C2SCC(=O)N3CCN(CC3)S(=O)(=O)C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN2C1=C(N=C2SCC(=O)N3CCN(CC3)S(=O)(=O)C)C4=CC=CC=C4)C

InChI

InChI=1S/C21H25N5O3S2/c1-15-13-16(2)23-26-20(15)19(17-7-5-4-6-8-17)22-21(26)30-14-18(27)24-9-11-25(12-10-24)31(3,28)29/h4-8,13H,9-12,14H2,1-3H3