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

Systemtic Name: 4,6-dimethyl-2-[[1-oxidanyl-2-(phenylmethyl)sulfinyl-cyclohexyl]methylsulfanyl]pyridine-3-carbonitrile Openeye Name: 2-[(2-benzylsulfinyl-1-hydroxy-cyclohexyl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[1-hydroxy-2-(phenylmethyl)sulfinylcyclohexyl]methylthio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(2-benzylsulfinyl-1-hydroxycyclohexyl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[(2-benzylsulfinyl-1-hydroxy-cyclohexyl)methylthio]-4,6-dimethyl-nicotinonitrile Formula: C22H26N2O2S2 MolecularWeight: 414.58404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC2(CCCCC2S(=O)CC3=CC=CC=C3)O)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC2(CCCCC2S(=O)CC3=CC=CC=C3)O)C

InChI

InChI=1S/C22H26N2O2S2/c1-16-12-17(2)24-21(19(16)13-23)27-15-22(25)11-7-6-10-20(22)28(26)14-18-8-4-3-5-9-18/h3-5,8-9,12,20,25H,6-7,10-11,14-15H2,1-2H3