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

Systemtic Name: 5-[4-[2-(4-methylsulfanylphenoxy)ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 2-isopropyl-5-[4-[2-(4-methylsulfanylphenoxy)ethyl]piperazin-1-yl]-2-phenyl-pentanenitrile CAS Name: 5-[4-[2-[4-(methylthio)phenoxy]ethyl]-1-piperazinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-[2-(4-methylsulfanylphenoxy)ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 2-isopropyl-5-[4-[2-[4-(methylthio)phenoxy]ethyl]piperazino]-2-phenyl-valeronitrile Formula: C27H37N3OS MolecularWeight: 451.66718

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3OS/c1-23(2)27(22-28,24-8-5-4-6-9-24)14-7-15-29-16-18-30(19-17-29)20-21-31-25-10-12-26(32-3)13-11-25/h4-6,8-13,23H,7,14-21H2,1-3H3