4-[[4-[2-(phenylmethylsulfanyl)propanoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(phenylmethylsulfanyl)propanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-benzylsulfanylpropanoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[1-oxo-2-(phenylmethylthio)propyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-benzylsulfanylpropanoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(benzylthio)propanoyl]piperazino]methyl]benzonitrile Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=C(C=C2)C#N)SCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=C(C=C2)C#N)SCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3OS/c1-18(27-17-21-5-3-2-4-6-21)22(26)25-13-11-24(12-14-25)16-20-9-7-19(15-23)8-10-20/h2-10,18H,11-14,16-17H2,1H3