N-[[(2R)-7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[[(2R)-7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[[(2R)-7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydrobenzofuran-2-yl]methyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[[(2R)-7-(6-methoxy-3-pyridazinyl)-5-methyl-2,3-dihydrobenzofuran-2-yl]methyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[[(2R)-7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[[(2R)-7-(6-methoxypyridazin-3-yl)-5-methyl-coumaran-2-yl]methyl]-2-(methylthio)nicotinamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)C3=NN=C(C=C3)OC)OC(C2)CNC(=O)C4=C(N=CC=C4)SC

Isomeric SMILES

CC1=CC2=C(C(=C1)C3=NN=C(C=C3)OC)O[C@H](C2)CNC(=O)C4=C(N=CC=C4)SC

InChI

InChI=1S/C22H22N4O3S/c1-13-9-14-11-15(12-24-21(27)16-5-4-8-23-22(16)30-3)29-20(14)17(10-13)18-6-7-19(28-2)26-25-18/h4-10,15H,11-12H2,1-3H3,(H,24,27)/t15-/m1/s1