4-[2-(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)sulfanylethanoylamino]benzamide

Systemtic Name: 4-[2-(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)sulfanylethanoylamino]benzamide Openeye Name: 4-[[2-(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)sulfanylacetyl]amino]benzamide CAS Name: 4-[[2-[(2,4-dimethyl-5-phenyl-7-imidazo[1,5-b]pyridazinyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanylacetyl]amino]benzamide Traditional Name: 4-[[2-[(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)thio]acetyl]amino]benzamide Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN2C1=C(N=C2SCC(=O)NC3=CC=C(C=C3)C(=O)N)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN2C1=C(N=C2SCC(=O)NC3=CC=C(C=C3)C(=O)N)C4=CC=CC=C4)C

InChI

InChI=1S/C23H21N5O2S/c1-14-12-15(2)27-28-21(14)20(16-6-4-3-5-7-16)26-23(28)31-13-19(29)25-18-10-8-17(9-11-18)22(24)30/h3-12H,13H2,1-2H3,(H2,24,30)(H,25,29)