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

Systemtic Name: [(4S)-5-cyano-2-methyl-4-pyridin-3-yl-6-sulfanyl-4H-pyridin-3-ylidene]-prop-2-enoxy-methanolate Openeye Name: allyloxy-[(4S)-5-cyano-2-methyl-4-(3-pyridyl)-6-sulfanyl-4H-pyridin-3-ylidene]methanolate CAS Name: [(4S)-5-cyano-6-mercapto-2-methyl-4-(3-pyridinyl)-4H-pyridin-3-ylidene]-prop-2-enoxymethanolate IUPAC Name: [(4S)-5-cyano-2-methyl-4-pyridin-3-yl-6-sulfanyl-4H-pyridin-3-ylidene]-prop-2-enoxymethanolate Traditional Name: allyloxy-[(4S)-5-cyano-6-mercapto-2-methyl-4-(3-pyridyl)-4H-pyridin-3-ylidene]methanolate Formula: C16H14N3O2S- MolecularWeight: 312.36626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O2S/c1-3-7-21-16(20)13-10(2)19-15(22)12(8-17)14(13)11-5-4-6-18-9-11/h3-6,9,14,20,22H,1,7H2,2H3/p-1/t14-/m1/s1