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

Systemtic Name: 2-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-6-phenyl-4-thiophen-2-yl-pyridine-3-carbonitrile Openeye Name: 6-phenyl-4-(2-thienyl)-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfanyl-pyridine-3-carbonitrile CAS Name: 6-phenyl-4-thiophen-2-yl-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]thio]-3-pyridinecarbonitrile IUPAC Name: 6-phenyl-4-thiophen-2-yl-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpyridine-3-carbonitrile Traditional Name: 6-phenyl-4-(2-thienyl)-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]thio]nicotinonitrile Formula: C22H20N2O5S2 MolecularWeight: 456.5346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CS3)C#N)SC4C(C(C(C(O4)CO)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CS3)C#N)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O

InChI

InChI=1S/C22H20N2O5S2/c23-10-14-13(17-7-4-8-30-17)9-15(12-5-2-1-3-6-12)24-21(14)31-22-20(28)19(27)18(26)16(11-25)29-22/h1-9,16,18-20,22,25-28H,11H2/t16-,18+,19+,20-,22+/m1/s1