4-[[4-[3-(4-chlorophenyl)sulfanylpropanoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[3-(4-chlorophenyl)sulfanylpropanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[3-(4-chlorophenyl)sulfanylpropanoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[3-[(4-chlorophenyl)thio]-1-oxopropyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[3-(4-chlorophenyl)sulfanylpropanoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[3-[(4-chlorophenyl)thio]propanoyl]piperazino]methyl]benzonitrile Formula: C21H22ClN3OS MolecularWeight: 399.93688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3OS/c22-19-5-7-20(8-6-19)27-14-9-21(26)25-12-10-24(11-13-25)16-18-3-1-17(15-23)2-4-18/h1-8H,9-14,16H2