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

Systemtic Name: N-(2-cyanoethyl)-2-(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)sulfanyl-N-methyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)sulfanyl-N-methyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[(2,4-dimethyl-5-phenyl-7-imidazo[1,5-b]pyridazinyl)thio]-N-methylacetamide IUPAC Name: N-(2-cyanoethyl)-2-(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanyl-N-methylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)thio]-N-methyl-acetamide Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5OS/c1-14-12-15(2)23-25-19(14)18(16-8-5-4-6-9-16)22-20(25)27-13-17(26)24(3)11-7-10-21/h4-6,8-9,12H,7,11,13H2,1-3H3