3-ethyl-2-[2-oxidanyl-3-(3-propylsulfanylpropylamino)propoxy]benzenecarbonitrile

Systemtic Name: 3-ethyl-2-[2-oxidanyl-3-(3-propylsulfanylpropylamino)propoxy]benzenecarbonitrile Openeye Name: 3-ethyl-2-[2-hydroxy-3-(3-propylsulfanylpropylamino)propoxy]benzonitrile CAS Name: 3-ethyl-2-[2-hydroxy-3-[3-(propylthio)propylamino]propoxy]benzonitrile IUPAC Name: 3-ethyl-2-[2-hydroxy-3-(3-propylsulfanylpropylamino)propoxy]benzonitrile Traditional Name: 3-ethyl-2-[2-hydroxy-3-[3-(propylthio)propylamino]propoxy]benzonitrile Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCNCC(COC1=C(C=CC=C1CC)C#N)O

Isomeric SMILES

CCCSCCCNCC(COC1=C(C=CC=C1CC)C#N)O

InChI

InChI=1S/C18H28N2O2S/c1-3-10-23-11-6-9-20-13-17(21)14-22-18-15(4-2)7-5-8-16(18)12-19/h5,7-8,17,20-21H,3-4,6,9-11,13-14H2,1-2H3