4-[2-oxidanyl-3-(3-propylsulfanylpropylamino)propoxy]benzenecarbonitrile

Systemtic Name: 4-[2-oxidanyl-3-(3-propylsulfanylpropylamino)propoxy]benzenecarbonitrile Openeye Name: 4-[2-hydroxy-3-(3-propylsulfanylpropylamino)propoxy]benzonitrile CAS Name: 4-[2-hydroxy-3-[3-(propylthio)propylamino]propoxy]benzonitrile IUPAC Name: 4-[2-hydroxy-3-(3-propylsulfanylpropylamino)propoxy]benzonitrile Traditional Name: 4-[2-hydroxy-3-[3-(propylthio)propylamino]propoxy]benzonitrile Formula: C16H24N2O2S MolecularWeight: 308.43896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCNCC(COC1=CC=C(C=C1)C#N)O

Isomeric SMILES

CCCSCCCNCC(COC1=CC=C(C=C1)C#N)O

InChI

InChI=1S/C16H24N2O2S/c1-2-9-21-10-3-8-18-12-15(19)13-20-16-6-4-14(11-17)5-7-16/h4-7,15,18-19H,2-3,8-10,12-13H2,1H3