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

Systemtic Name: 1-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-6-phenyl-2-sulfanyl-4-thiophen-2-yl-4H-pyridine-3-carbonitrile Openeye Name: 6-phenyl-2-sulfanyl-4-(2-thienyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-4H-pyridine-3-carbonitrile CAS Name: 2-mercapto-6-phenyl-4-thiophen-2-yl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-4H-pyridine-3-carbonitrile IUPAC Name: 6-phenyl-2-sulfanyl-4-thiophen-2-yl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-pyridine-3-carbonitrile Traditional Name: 2-mercapto-6-phenyl-4-(2-thienyl)-1-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)-4H-pyridine-3-carbonitrile Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(C(=C(N2C3C(C(C(C(O3)CO)O)O)O)S)C#N)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(C(=C(N2C3C(C(C(C(O3)CO)O)O)O)S)C#N)C4=CC=CS4

InChI

InChI=1S/C22H22N2O5S2/c23-10-14-13(17-7-4-8-31-17)9-15(12-5-2-1-3-6-12)24(22(14)30)21-20(28)19(27)18(26)16(11-25)29-21/h1-9,13,16,18-21,25-28,30H,11H2