4,6-dimethyl-2-[[1-oxidanyl-2-(phenylmethylsulfanyl)cyclohexyl]methylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-[[1-oxidanyl-2-(phenylmethylsulfanyl)cyclohexyl]methylsulfanyl]pyridine-3-carbonitrile Openeye Name: 2-[(2-benzylsulfanyl-1-hydroxy-cyclohexyl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[1-hydroxy-2-(phenylmethylthio)cyclohexyl]methylthio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(2-benzylsulfanyl-1-hydroxycyclohexyl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[2-(benzylthio)-1-hydroxy-cyclohexyl]methylthio]-4,6-dimethyl-nicotinonitrile Formula: C22H26N2OS2 MolecularWeight: 398.58464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC2(CCCCC2SCC3=CC=CC=C3)O)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC2(CCCCC2SCC3=CC=CC=C3)O)C

InChI

InChI=1S/C22H26N2OS2/c1-16-12-17(2)24-21(19(16)13-23)27-15-22(25)11-7-6-10-20(22)26-14-18-8-4-3-5-9-18/h3-5,8-9,12,20,25H,6-7,10-11,14-15H2,1-2H3