4-[(1R,2R)-2-(2-butylsulfanylethylsulfanyl)-1-oxidanyl-2-(2-trimethylsilylethynyl)hexyl]benzenecarbonitrile

Systemtic Name: 4-[(1R,2R)-2-(2-butylsulfanylethylsulfanyl)-1-oxidanyl-2-(2-trimethylsilylethynyl)hexyl]benzenecarbonitrile Openeye Name: 4-[(1R,2R)-2-(2-butylsulfanylethylsulfanyl)-1-hydroxy-2-(2-trimethylsilylethynyl)hexyl]benzonitrile CAS Name: 4-[(1R,2R)-2-[2-(butylthio)ethylthio]-1-hydroxy-2-(2-trimethylsilylethynyl)hexyl]benzonitrile IUPAC Name: 4-[(1R,2R)-2-(2-butylsulfanylethylsulfanyl)-1-hydroxy-2-(2-trimethylsilylethynyl)hexyl]benzonitrile Traditional Name: 4-[(1R,2R)-2-butyl-2-[2-(butylthio)ethylthio]-1-hydroxy-4-trimethylsilyl-but-3-ynyl]benzonitrile Formula: C24H37NOS2Si MolecularWeight: 447.77218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C#C[Si](C)(C)C)(C(C1=CC=C(C=C1)C#N)O)SCCSCCCC

Isomeric SMILES

CCCC[C@@](C#C[Si](C)(C)C)([C@@H](C1=CC=C(C=C1)C#N)O)SCCSCCCC

InChI

InChI=1S/C24H37NOS2Si/c1-6-8-14-24(15-19-29(3,4)5,28-18-17-27-16-9-7-2)23(26)22-12-10-21(20-25)11-13-22/h10-13,23,26H,6-9,14,16-18H2,1-5H3/t23-,24-/m1/s1