2-[4-[3-cyano-4-(2-methoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanylbutylsulfanyl]-4-(2-methoxyphenyl)-6-phenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[4-[3-cyano-4-(2-methoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanylbutylsulfanyl]-4-(2-methoxyphenyl)-6-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[4-[[3-cyano-4-(2-methoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl]butylsulfanyl]-4-(2-methoxyphenyl)-6-phenyl-pyridine-3-carbonitrile CAS Name: 2-[4-[[3-cyano-4-(2-methoxyphenyl)-6-phenyl-2-pyridinyl]thio]butylthio]-4-(2-methoxyphenyl)-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[4-[3-cyano-4-(2-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanylbutylsulfanyl]-4-(2-methoxyphenyl)-6-phenylpyridine-3-carbonitrile Traditional Name: 2-[4-[[3-cyano-4-(2-methoxyphenyl)-6-phenyl-2-pyridyl]thio]butylthio]-4-(2-methoxyphenyl)-6-phenyl-nicotinonitrile Formula: C42H34N4O2S2 MolecularWeight: 690.87496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC(=NC(=C2C#N)SCCCCSC3=C(C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5OC)C#N)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=CC=C1C2=CC(=NC(=C2C#N)SCCCCSC3=C(C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5OC)C#N)C6=CC=CC=C6

InChI

InChI=1S/C42H34N4O2S2/c1-47-39-21-11-9-19-31(39)33-25-37(29-15-5-3-6-16-29)45-41(35(33)27-43)49-23-13-14-24-50-42-36(28-44)34(32-20-10-12-22-40(32)48-2)26-38(46-42)30-17-7-4-8-18-30/h3-12,15-22,25-26H,13-14,23-24H2,1-2H3