N-[2-(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)sulfanylethanoyl]-1-methyl-pyrrole-2-carboxamide

Systemtic Name: N-[2-(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)sulfanylethanoyl]-1-methyl-pyrrole-2-carboxamide Openeye Name: N-[2-(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)sulfanylacetyl]-1-methyl-pyrrole-2-carboxamide CAS Name: N-[2-[(2,4-dimethyl-5-phenyl-7-imidazo[1,5-b]pyridazinyl)thio]-1-oxoethyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: N-[2-(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanylacetyl]-1-methylpyrrole-2-carboxamide Traditional Name: N-[2-[(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)thio]acetyl]-1-methyl-pyrrole-2-carboxamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN2C1=C(N=C2SCC(=O)NC(=O)C3=CC=CN3C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN2C1=C(N=C2SCC(=O)NC(=O)C3=CC=CN3C)C4=CC=CC=C4)C

InChI

InChI=1S/C22H21N5O2S/c1-14-12-15(2)25-27-20(14)19(16-8-5-4-6-9-16)24-22(27)30-13-18(28)23-21(29)17-10-7-11-26(17)3/h4-12H,13H2,1-3H3,(H,23,28,29)