N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)sulfanyl-ethanamide

Systemtic Name: N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)sulfanyl-ethanamide Openeye Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)sulfanyl-acetamide CAS Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(2,4-dimethyl-5-phenyl-7-imidazo[1,5-b]pyridazinyl)thio]acetamide IUPAC Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanylacetamide Traditional Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)thio]acetamide Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN2C1=C(N=C2SCC(=O)NC(C)(C#N)C(C)C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NN2C1=C(N=C2SCC(=O)N[C@](C)(C#N)C(C)C)C3=CC=CC=C3)C

InChI

InChI=1S/C22H25N5OS/c1-14(2)22(5,13-23)25-18(28)12-29-21-24-19(17-9-7-6-8-10-17)20-15(3)11-16(4)26-27(20)21/h6-11,14H,12H2,1-5H3,(H,25,28)/t22-/m1/s1