6-[[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]methyl]-2-methylsulfanyl-pyridine-3-carbonitrile

Systemtic Name: 6-[[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]methyl]-2-methylsulfanyl-pyridine-3-carbonitrile Openeye Name: 6-[[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]methyl]-2-methylsulfanyl-pyridine-3-carbonitrile CAS Name: 6-[[2-(1,3-benzodioxol-5-yloxymethyl)-4-morpholinyl]methyl]-2-(methylthio)-3-pyridinecarbonitrile IUPAC Name: 6-[[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]methyl]-2-methylsulfanylpyridine-3-carbonitrile Traditional Name: 6-[[2-(1,3-benzodioxol-5-yloxymethyl)morpholino]methyl]-2-(methylthio)nicotinonitrile Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=N1)CN2CCOC(C2)COC3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

CSC1=C(C=CC(=N1)CN2CCOC(C2)COC3=CC4=C(C=C3)OCO4)C#N

InChI

InChI=1S/C20H21N3O4S/c1-28-20-14(9-21)2-3-15(22-20)10-23-6-7-24-17(11-23)12-25-16-4-5-18-19(8-16)27-13-26-18/h2-5,8,17H,6-7,10-13H2,1H3