(2R,4R)-5-(4-methylphenyl)sulfanyl-2,4-bis[(2-methylpropan-2-yl)oxy]pentanenitrile

Systemtic Name: (2R,4R)-5-(4-methylphenyl)sulfanyl-2,4-bis[(2-methylpropan-2-yl)oxy]pentanenitrile Openeye Name: (2R,4R)-2,4-ditert-butoxy-5-(p-tolylsulfanyl)pentanenitrile CAS Name: (2R,4R)-5-[(4-methylphenyl)thio]-2,4-bis[(2-methylpropan-2-yl)oxy]pentanenitrile IUPAC Name: (2R,4R)-5-(4-methylphenyl)sulfanyl-2,4-bis[(2-methylpropan-2-yl)oxy]pentanenitrile Traditional Name: (2R,4R)-2,4-ditert-butoxy-5-(p-tolylthio)valeronitrile Formula: C20H31NO2S MolecularWeight: 349.53064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(CC(C#N)OC(C)(C)C)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC[C@@H](C[C@H](C#N)OC(C)(C)C)OC(C)(C)C

InChI

InChI=1S/C20H31NO2S/c1-15-8-10-18(11-9-15)24-14-17(23-20(5,6)7)12-16(13-21)22-19(2,3)4/h8-11,16-17H,12,14H2,1-7H3/t16-,17-/m1/s1