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

Systemtic Name: 5-ethanoyl-1-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-6-methyl-4-naphthalen-1-yl-2-sulfanylidene-pyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-4-(1-naphthyl)-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-4-(1-naphthalenyl)-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-6-methyl-4-naphthalen-1-yl-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile Traditional Name: 5-acetyl-6-methyl-4-(1-naphthyl)-2-thioxo-1-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)nicotinonitrile Formula: C25H24N2O6S MolecularWeight: 480.53286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=S)N1C2C(C(C(C(O2)CO)O)O)O)C#N)C3=CC=CC4=CC=CC=C43)C(=O)C

Isomeric SMILES

CC1=C(C(=C(C(=S)N1C2C(C(C(C(O2)CO)O)O)O)C#N)C3=CC=CC4=CC=CC=C43)C(=O)C

InChI

InChI=1S/C25H24N2O6S/c1-12-19(13(2)29)20(16-9-5-7-14-6-3-4-8-15(14)16)17(10-26)25(34)27(12)24-23(32)22(31)21(30)18(11-28)33-24/h3-9,18,21-24,28,30-32H,11H2,1-2H3