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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=C(C=C2)SC)(C#N)C3=CC=CS3

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=C(C=C2)SC)(C#N)C3=CC=CS3

InChI

InChI=1S/C25H35N3OS2/c1-21(2)25(20-26,24-6-4-19-31-24)11-5-12-27-13-15-28(16-14-27)17-18-29-22-7-9-23(30-3)10-8-22/h4,6-10,19,21H,5,11-18H2,1-3H3