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

Systemtic Name: 1-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4-methyl-6-phenyl-5-phenyldiazenyl-2-sulfanylidene-pyridine-3-carbonitrile Openeye Name: 4-methyl-6-phenyl-5-phenylazo-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carbonitrile CAS Name: 4-methyl-6-phenyl-5-phenyldiazenyl-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-3-pyridinecarbonitrile IUPAC Name: 4-methyl-6-phenyl-5-phenyldiazenyl-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile Traditional Name: 4-methyl-6-phenyl-5-phenylazo-2-thioxo-1-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)nicotinonitrile Formula: C25H24N4O5S MolecularWeight: 492.54686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=S)N(C(=C1N=NC2=CC=CC=C2)C3=CC=CC=C3)C4C(C(C(C(O4)CO)O)O)O)C#N

Isomeric SMILES

CC1=C(C(=S)N(C(=C1N=NC2=CC=CC=C2)C3=CC=CC=C3)C4C(C(C(C(O4)CO)O)O)O)C#N

InChI

InChI=1S/C25H24N4O5S/c1-14-17(12-26)25(35)29(24-23(33)22(32)21(31)18(13-30)34-24)20(15-8-4-2-5-9-15)19(14)28-27-16-10-6-3-7-11-16/h2-11,18,21-24,30-33H,13H2,1H3