1-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-6-(4-methylphenyl)-4-phenyl-2-sulfanylidene-pyridine-3-carbonitrile

Systemtic Name: 1-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-6-(4-methylphenyl)-4-phenyl-2-sulfanylidene-pyridine-3-carbonitrile Openeye Name: 4-phenyl-6-(p-tolyl)-2-thioxo-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carbonitrile CAS Name: 6-(4-methylphenyl)-4-phenyl-2-sulfanylidene-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-3-pyridinecarbonitrile IUPAC Name: 6-(4-methylphenyl)-4-phenyl-2-sulfanylidene-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile Traditional Name: 4-phenyl-6-(p-tolyl)-2-thioxo-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]nicotinonitrile Formula: C25H24N2O5S MolecularWeight: 464.53346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=C(C(=S)N2C3C(C(C(C(O3)CO)O)O)O)C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=C(C(=S)N2[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)C#N)C4=CC=CC=C4

InChI

InChI=1S/C25H24N2O5S/c1-14-7-9-16(10-8-14)19-11-17(15-5-3-2-4-6-15)18(12-26)25(33)27(19)24-23(31)22(30)21(29)20(13-28)32-24/h2-11,20-24,28-31H,13H2,1H3/t20-,21+,22+,23-,24-/m1/s1