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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCCCCSC3=C(C(=CC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)OC)C#N)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCCCCSC3=C(C(=CC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)OC)C#N)C6=CC=CC=C6

InChI

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