2-[1-oxidanyl-3-(3-propylsulfanylpropylamino)hexan-3-yl]benzenecarbonitrile

Systemtic Name: 2-[1-oxidanyl-3-(3-propylsulfanylpropylamino)hexan-3-yl]benzenecarbonitrile Openeye Name: 2-[1-(2-hydroxyethyl)-1-(3-propylsulfanylpropylamino)butyl]benzonitrile CAS Name: 2-[1-hydroxy-3-[3-(propylthio)propylamino]hexan-3-yl]benzonitrile IUPAC Name: 2-[1-hydroxy-3-(3-propylsulfanylpropylamino)hexan-3-yl]benzonitrile Traditional Name: 2-[1-(2-hydroxyethyl)-1-[3-(propylthio)propylamino]butyl]benzonitrile Formula: C19H30N2OS MolecularWeight: 334.5193

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCO)(C1=CC=CC=C1C#N)NCCCSCCC

Isomeric SMILES

CCCC(CCO)(C1=CC=CC=C1C#N)NCCCSCCC

InChI

InChI=1S/C19H30N2OS/c1-3-10-19(11-13-22,21-12-7-15-23-14-4-2)18-9-6-5-8-17(18)16-20/h5-6,8-9,21-22H,3-4,7,10-15H2,1-2H3