[(4S)-5-cyano-2-methyl-4-pyridin-3-yl-6-sulfanyl-4H-pyridin-3-ylidene]-propan-2-yloxy-methanolate

Systemtic Name: [(4S)-5-cyano-2-methyl-4-pyridin-3-yl-6-sulfanyl-4H-pyridin-3-ylidene]-propan-2-yloxy-methanolate Openeye Name: [(4S)-5-cyano-2-methyl-4-(3-pyridyl)-6-sulfanyl-4H-pyridin-3-ylidene]-isopropoxy-methanolate CAS Name: [(4S)-5-cyano-6-mercapto-2-methyl-4-(3-pyridinyl)-4H-pyridin-3-ylidene]-propan-2-yloxymethanolate IUPAC Name: [(4S)-5-cyano-2-methyl-4-pyridin-3-yl-6-sulfanyl-4H-pyridin-3-ylidene]-propan-2-yloxymethanolate Traditional Name: [(4S)-5-cyano-6-mercapto-2-methyl-4-(3-pyridyl)-4H-pyridin-3-ylidene]-isopropoxy-methanolate Formula: C16H16N3O2S- MolecularWeight: 314.38214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O2S/c1-9(2)21-16(20)13-10(3)19-15(22)12(7-17)14(13)11-5-4-6-18-8-11/h4-6,8-9,14,20,22H,1-3H3/p-1/t14-/m1/s1