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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC3(CCCCC3SC)O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC3(CCCCC3SC)O)C4=CC=CC=C4

InChI

InChI=1S/C27H28N2O2S2/c1-31-21-13-11-19(12-14-21)22-16-24(20-8-4-3-5-9-20)29-26(23(22)17-28)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