3-[[3-[4-(2-methylsulfanylethyl)phenoxy]-2-oxidanyl-propyl]amino]butanenitrile

Systemtic Name: 3-[[3-[4-(2-methylsulfanylethyl)phenoxy]-2-oxidanyl-propyl]amino]butanenitrile Openeye Name: 3-[[2-hydroxy-3-[4-(2-methylsulfanylethyl)phenoxy]propyl]amino]butanenitrile CAS Name: 3-[[2-hydroxy-3-[4-[2-(methylthio)ethyl]phenoxy]propyl]amino]butanenitrile IUPAC Name: 3-[[2-hydroxy-3-[4-(2-methylsulfanylethyl)phenoxy]propyl]amino]butanenitrile Traditional Name: 3-[[2-hydroxy-3-[4-[2-(methylthio)ethyl]phenoxy]propyl]amino]butyronitrile Formula: C16H24N2O2S MolecularWeight: 308.43896

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC#N)NCC(COC1=CC=C(C=C1)CCSC)O

Isomeric SMILES

CC(CC#N)NCC(COC1=CC=C(C=C1)CCSC)O

InChI

InChI=1S/C16H24N2O2S/c1-13(7-9-17)18-11-15(19)12-20-16-5-3-14(4-6-16)8-10-21-2/h3-6,13,15,18-19H,7-8,10-12H2,1-2H3