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

Systemtic Name: (5-cyano-2-methyl-4-pyridin-3-yl-6-sulfanyl-4H-pyridin-3-ylidene)-[(2-methylpropan-2-yl)oxy]methanolate Openeye Name: tert-butoxy-[5-cyano-2-methyl-4-(3-pyridyl)-6-sulfanyl-4H-pyridin-3-ylidene]methanolate CAS Name: [5-cyano-6-mercapto-2-methyl-4-(3-pyridinyl)-4H-pyridin-3-ylidene]-[(2-methylpropan-2-yl)oxy]methanolate IUPAC Name: (5-cyano-2-methyl-4-pyridin-3-yl-6-sulfanyl-4H-pyridin-3-ylidene)-[(2-methylpropan-2-yl)oxy]methanolate Traditional Name: tert-butoxy-[5-cyano-6-mercapto-2-methyl-4-(3-pyridyl)-4H-pyridin-3-ylidene]methanolate Formula: C17H18N3O2S- MolecularWeight: 328.40872

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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

Isomeric SMILES

CC1=NC(=C(C(C1=C([O-])OC(C)(C)C)C2=CN=CC=C2)C#N)S

InChI

InChI=1S/C17H19N3O2S/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/h5-7,9,14,21,23H,1-4H3/p-1