(E)-(5-cyano-2-methyl-4-pyridin-3-yl-6-sulfanyl-4H-pyridin-3-ylidene)-[(2-methylpropan-2-yl)oxy]methanolate; morpholin-4-ium

Systemtic Name: (E)-(5-cyano-2-methyl-4-pyridin-3-yl-6-sulfanyl-4H-pyridin-3-ylidene)-[(2-methylpropan-2-yl)oxy]methanolate; morpholin-4-ium Openeye Name: (E)-tert-butoxy-[5-cyano-2-methyl-4-(3-pyridyl)-6-sulfanyl-4H-pyridin-3-ylidene]methanolate; morpholin-4-ium CAS Name: (E)-[5-cyano-6-mercapto-2-methyl-4-(3-pyridinyl)-4H-pyridin-3-ylidene]-[(2-methylpropan-2-yl)oxy]methanolate; morpholin-4-ium IUPAC Name: (E)-(5-cyano-2-methyl-4-pyridin-3-yl-6-sulfanyl-4H-pyridin-3-ylidene)-[(2-methylpropan-2-yl)oxy]methanolate; morpholin-4-ium Traditional Name: (E)-tert-butoxy-[5-cyano-6-mercapto-2-methyl-4-(3-pyridyl)-4H-pyridin-3-ylidene]methanolate; morpholin-4-ium Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1=C([O-])OC(C)(C)C)C2=CN=CC=C2)C#N)S.C1COCC[NH2+]1

Isomeric SMILES

CC\1=NC(=C(C(/C1=C(/[O-])\OC(C)(C)C)C2=CN=CC=C2)C#N)S.C1COCC[NH2+]1

InChI

InChI=1S/C17H19N3O2S.C4H9NO/c1-10-13(16(21)22-17(2,3)4)14(11-6-5-7-19-9-11)12(8-18)15(23)20-10;1-3-6-4-2-5-1/h5-7,9,14,21,23H,1-4H3;5H,1-4H2/b16-13-;