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

Systemtic Name: 4-[[4-(2-phenylsulfanylpropanoyl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-phenylsulfanylpropanoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[1-oxo-2-(phenylthio)propyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-phenylsulfanylpropanoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(phenylthio)propanoyl]piperazino]methyl]benzonitrile Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=C(C=C2)C#N)SC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=C(C=C2)C#N)SC3=CC=CC=C3

InChI

InChI=1S/C21H23N3OS/c1-17(26-20-5-3-2-4-6-20)21(25)24-13-11-23(12-14-24)16-19-9-7-18(15-22)8-10-19/h2-10,17H,11-14,16H2,1H3