4-[[4-[2-[(3-chlorophenyl)methylsulfanyl]ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-[(3-chlorophenyl)methylsulfanyl]ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-[(3-chlorophenyl)methylthio]-1-oxoethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-[(3-chlorobenzyl)thio]acetyl]piperazino]methyl]benzonitrile Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CSCC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CSCC3=CC(=CC=C3)Cl

InChI

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