1-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4,6-dimethyl-5-phenyldiazenyl-2-sulfanylidene-pyridine-3-carbonitrile

Systemtic Name: 1-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4,6-dimethyl-5-phenyldiazenyl-2-sulfanylidene-pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-5-phenylazo-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-5-phenyldiazenyl-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-5-phenyldiazenyl-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile Traditional Name: 4,6-dimethyl-5-phenylazo-2-thioxo-1-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)nicotinonitrile Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=S)N(C(=C1N=NC2=CC=CC=C2)C)C3C(C(C(C(O3)CO)O)O)O)C#N

Isomeric SMILES

CC1=C(C(=S)N(C(=C1N=NC2=CC=CC=C2)C)C3C(C(C(C(O3)CO)O)O)O)C#N

InChI

InChI=1S/C20H22N4O5S/c1-10-13(8-21)20(30)24(19-18(28)17(27)16(26)14(9-25)29-19)11(2)15(10)23-22-12-6-4-3-5-7-12/h3-7,14,16-19,25-28H,9H2,1-2H3