2,6-bis(4-methoxyphenyl)-4-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl]sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 2,6-bis(4-methoxyphenyl)-4-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 2,6-bis(4-methoxyphenyl)-4-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 2,6-bis(4-methoxyphenyl)-4-[[2-oxo-2-(2-oxo-1-benzopyran-3-yl)ethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 2,6-bis(4-methoxyphenyl)-4-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 4-[[2-keto-2-(2-ketochromen-3-yl)ethyl]thio]-2,6-bis(4-methoxyphenyl)nicotinonitrile Formula: C31H22N2O5S MolecularWeight: 534.58178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)SCC(=O)C3=CC4=CC=CC=C4OC3=O)C#N)C5=CC=C(C=C5)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)SCC(=O)C3=CC4=CC=CC=C4OC3=O)C#N)C5=CC=C(C=C5)OC

InChI

InChI=1S/C31H22N2O5S/c1-36-22-11-7-19(8-12-22)26-16-29(25(17-32)30(33-26)20-9-13-23(37-2)14-10-20)39-18-27(34)24-15-21-5-3-4-6-28(21)38-31(24)35/h3-16H,18H2,1-2H3