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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCCCCSC4=C(C(=CC(=N4)C5=CC=C(C=C5)OC)C6=CC=CC=C6)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCCCCSC4=C(C(=CC(=N4)C5=CC=C(C=C5)OC)C6=CC=CC=C6)C#N

InChI

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