N-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-phenylsulfanyl-acetamide CAS Name: N-[[5-(6-methoxy-3-pyridazinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-(phenylthio)acetamide IUPAC Name: N-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-phenylsulfanylacetamide Traditional Name: N-[[5-(6-methoxypyridazin-3-yl)coumaran-2-yl]methyl]-2-(phenylthio)acetamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN=C(C=C1)C2=CC3=C(C=C2)OC(C3)CNC(=O)CSC4=CC=CC=C4

Isomeric SMILES

COC1=NN=C(C=C1)C2=CC3=C(C=C2)OC(C3)CNC(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O3S/c1-27-22-10-8-19(24-25-22)15-7-9-20-16(11-15)12-17(28-20)13-23-21(26)14-29-18-5-3-2-4-6-18/h2-11,17H,12-14H2,1H3,(H,23,26)