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

Systemtic Name: 4-[[4-(3-phenylsulfanylpropanoyl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-phenylsulfanylpropanoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[1-oxo-3-(phenylthio)propyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3-phenylsulfanylpropanoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[3-(phenylthio)propanoyl]piperazino]methyl]benzonitrile Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3OS/c22-16-18-6-8-19(9-7-18)17-23-11-13-24(14-12-23)21(25)10-15-26-20-4-2-1-3-5-20/h1-9H,10-15,17H2