6-[[2-[(4-ethanoyl-3-fluoranyl-phenoxy)methyl]morpholin-4-yl]methyl]-2-methylsulfanyl-pyridine-3-carbonitrile

Systemtic Name: 6-[[2-[(4-ethanoyl-3-fluoranyl-phenoxy)methyl]morpholin-4-yl]methyl]-2-methylsulfanyl-pyridine-3-carbonitrile Openeye Name: 6-[[2-[(4-acetyl-3-fluoro-phenoxy)methyl]morpholin-4-yl]methyl]-2-methylsulfanyl-pyridine-3-carbonitrile CAS Name: 6-[[2-[(4-acetyl-3-fluorophenoxy)methyl]-4-morpholinyl]methyl]-2-(methylthio)-3-pyridinecarbonitrile IUPAC Name: 6-[[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]methyl]-2-methylsulfanylpyridine-3-carbonitrile Traditional Name: 6-[[2-[(4-acetyl-3-fluoro-phenoxy)methyl]morpholino]methyl]-2-(methylthio)nicotinonitrile Formula: C21H22FN3O3S MolecularWeight: 415.481083

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1)OCC2CN(CCO2)CC3=NC(=C(C=C3)C#N)SC)F

Isomeric SMILES

CC(=O)C1=C(C=C(C=C1)OCC2CN(CCO2)CC3=NC(=C(C=C3)C#N)SC)F

InChI

InChI=1S/C21H22FN3O3S/c1-14(26)19-6-5-17(9-20(19)22)28-13-18-12-25(7-8-27-18)11-16-4-3-15(10-23)21(24-16)29-2/h3-6,9,18H,7-8,11-13H2,1-2H3