N-(cyanomethyl)-2-(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)sulfanyl-N-phenyl-ethanamide

Systemtic Name: N-(cyanomethyl)-2-(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)sulfanyl-N-phenyl-ethanamide Openeye Name: N-(cyanomethyl)-2-(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)sulfanyl-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[(2,4-dimethyl-5-phenyl-7-imidazo[1,5-b]pyridazinyl)thio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanyl-N-phenylacetamide Traditional Name: N-(cyanomethyl)-2-[(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)thio]-N-phenyl-acetamide Formula: C24H21N5OS MolecularWeight: 427.52144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN2C1=C(N=C2SCC(=O)N(CC#N)C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN2C1=C(N=C2SCC(=O)N(CC#N)C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C24H21N5OS/c1-17-15-18(2)27-29-23(17)22(19-9-5-3-6-10-19)26-24(29)31-16-21(30)28(14-13-25)20-11-7-4-8-12-20/h3-12,15H,14,16H2,1-2H3