5-[4-[2-(4-methylsulfanylphenoxy)ethyl]piperazin-1-yl]-2-propan-2-yl-2-thiophen-3-yl-pentanenitrile

Systemtic Name: 5-[4-[2-(4-methylsulfanylphenoxy)ethyl]piperazin-1-yl]-2-propan-2-yl-2-thiophen-3-yl-pentanenitrile Openeye Name: 2-isopropyl-5-[4-[2-(4-methylsulfanylphenoxy)ethyl]piperazin-1-yl]-2-(3-thienyl)pentanenitrile CAS Name: 5-[4-[2-[4-(methylthio)phenoxy]ethyl]-1-piperazinyl]-2-propan-2-yl-2-(3-thiophenyl)pentanenitrile IUPAC Name: 5-[4-[2-(4-methylsulfanylphenoxy)ethyl]piperazin-1-yl]-2-propan-2-yl-2-thiophen-3-ylpentanenitrile Traditional Name: 2-isopropyl-5-[4-[2-[4-(methylthio)phenoxy]ethyl]piperazino]-2-(3-thienyl)valeronitrile Formula: C25H35N3OS2 MolecularWeight: 457.6949

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=C(C=C2)SC)(C#N)C3=CSC=C3

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=C(C=C2)SC)(C#N)C3=CSC=C3

InChI

InChI=1S/C25H35N3OS2/c1-21(2)25(20-26,22-9-18-31-19-22)10-4-11-27-12-14-28(15-13-27)16-17-29-23-5-7-24(30-3)8-6-23/h5-9,18-19,21H,4,10-17H2,1-3H3