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

Systemtic Name: 6-[[2-[(4-ethanoyl-3-methyl-phenoxy)methyl]morpholin-4-yl]methyl]-2-methylsulfanyl-pyridine-3-carbonitrile Openeye Name: 6-[[2-[(4-acetyl-3-methyl-phenoxy)methyl]morpholin-4-yl]methyl]-2-methylsulfanyl-pyridine-3-carbonitrile CAS Name: 6-[[2-[(4-acetyl-3-methylphenoxy)methyl]-4-morpholinyl]methyl]-2-(methylthio)-3-pyridinecarbonitrile IUPAC Name: 6-[[2-[(4-acetyl-3-methylphenoxy)methyl]morpholin-4-yl]methyl]-2-methylsulfanylpyridine-3-carbonitrile Traditional Name: 6-[[2-[(4-acetyl-3-methyl-phenoxy)methyl]morpholino]methyl]-2-(methylthio)nicotinonitrile Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2CN(CCO2)CC3=NC(=C(C=C3)C#N)SC)C(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2CN(CCO2)CC3=NC(=C(C=C3)C#N)SC)C(=O)C

InChI

InChI=1S/C22H25N3O3S/c1-15-10-19(6-7-21(15)16(2)26)28-14-20-13-25(8-9-27-20)12-18-5-4-17(11-23)22(24-18)29-3/h4-7,10,20H,8-9,12-14H2,1-3H3