1-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-oxidanylidene-4-phenyl-6-sulfanyl-pyridine-3,5-dicarbonitrile

Systemtic Name: 1-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-oxidanylidene-4-phenyl-6-sulfanyl-pyridine-3,5-dicarbonitrile Openeye Name: 2-oxo-4-phenyl-6-sulfanyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3,5-dicarbonitrile CAS Name: 2-mercapto-6-oxo-4-phenyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]pyridine-3,5-dicarbonitrile IUPAC Name: 2-oxo-4-phenyl-6-sulfanyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3,5-dicarbonitrile Traditional Name: 2-keto-6-mercapto-4-phenyl-1-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)dinicotinonitrile Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N(C(=C2C#N)S)C3C(C(C(C(O3)CO)O)O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N(C(=C2C#N)S)C3C(C(C(C(O3)CO)O)O)O)C#N

InChI

InChI=1S/C19H17N3O6S/c20-6-10-13(9-4-2-1-3-5-9)11(7-21)19(29)22(17(10)27)18-16(26)15(25)14(24)12(8-23)28-18/h1-5,12,14-16,18,23-26,29H,8H2