2-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-4-methyl-5-(phenylcarbonyl)pyridine-3-carbonitrile

Systemtic Name: 2-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-4-methyl-5-(phenylcarbonyl)pyridine-3-carbonitrile Openeye Name: 5-benzoyl-4-methyl-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfanyl-pyridine-3-carbonitrile CAS Name: 5-benzoyl-4-methyl-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]thio]-3-pyridinecarbonitrile IUPAC Name: 5-benzoyl-4-methyl-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpyridine-3-carbonitrile Traditional Name: 5-benzoyl-4-methyl-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]thio]nicotinonitrile Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1C(=O)C2=CC=CC=C2)SC3C(C(C(C(O3)CO)O)O)O)C#N

Isomeric SMILES

CC1=C(C(=NC=C1C(=O)C2=CC=CC=C2)S[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)C#N

InChI

InChI=1S/C20H20N2O6S/c1-10-12(7-21)19(22-8-13(10)15(24)11-5-3-2-4-6-11)29-20-18(27)17(26)16(25)14(9-23)28-20/h2-6,8,14,16-18,20,23,25-27H,9H2,1H3/t14-,16+,17+,18-,20+/m1/s1