6-(4-methoxyphenyl)-2-[(2-methylsulfanyl-1-oxidanyl-cyclohexyl)methylsulfanyl]-4-phenyl-pyridine-3-carbonitrile

Systemtic Name: 6-(4-methoxyphenyl)-2-[(2-methylsulfanyl-1-oxidanyl-cyclohexyl)methylsulfanyl]-4-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[(1-hydroxy-2-methylsulfanyl-cyclohexyl)methylsulfanyl]-6-(4-methoxyphenyl)-4-phenyl-pyridine-3-carbonitrile CAS Name: 2-[[1-hydroxy-2-(methylthio)cyclohexyl]methylthio]-6-(4-methoxyphenyl)-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[(1-hydroxy-2-methylsulfanylcyclohexyl)methylsulfanyl]-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile Traditional Name: 2-[[1-hydroxy-2-(methylthio)cyclohexyl]methylthio]-6-(4-methoxyphenyl)-4-phenyl-nicotinonitrile Formula: C27H28N2O2S2 MolecularWeight: 476.65342

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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)SCC4(CCCCC4SC)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC4(CCCCC4SC)O

InChI

InChI=1S/C27H28N2O2S2/c1-31-21-13-11-20(12-14-21)24-16-22(19-8-4-3-5-9-19)23(17-28)26(29-24)33-18-27(30)15-7-6-10-25(27)32-2/h3-5,8-9,11-14,16,25,30H,6-7,10,15,18H2,1-2H3